(3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE structure

(3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE

TL;DR: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE (CAS 63775-96-2) is a chemical compound with molecular formula C63H113N11O12 and molecular weight 1215.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

(3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Also Known As: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE

CAS: 63775-96-2
Molecular Formula C63H113N11O12
Molecular Weight 1215.86 g/mol
LogP 8.0
Topological Polar Surface Area 279.0 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 12
Rotatable Bonds 15
Exact Mass 1215.857
Heavy Atoms 86
Complexity 2360.0

Chemical Identifiers

CAS Number 63775-96-2
SMILES CC=CC[C@@H](C)[C@H](C1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C)O
InChIKey ZNVBEWJRWHNZMK-SMOCYEBVSA-N

Product Overview

(3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE (CAS 63775-96-2), with molecular formula C63H113N11O12 and molecular weight 1215.86 g/mol. IUPAC: (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE

XLogP
8.0
TPSA (Topological Polar Surface Area)
279.0
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
12
Rotatable Bonds
15
Heavy Atoms
86
Complexity
2360.0
Exact Mass
1215.857
Monoisotopic Mass
1215.857
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE

The XLogP value of 8.0 indicates that (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 279.0 Ų indicates high polarity, suggesting (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE?

The CAS number of (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE is 63775-96-2.

What is the molecular formula of (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE?

The molecular formula of (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE is C63H113N11O12.

What is the molecular weight of (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE?

The molecular weight of (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE is 1215.86 g/mol.

Where can I buy (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE?

You can request a quote for (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE?

Yes, KEHONG BIO provides custom synthesis services for (3S,6S,9S,12R,15S,18S,21S,24S,30S)-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21,30-TRIISOPROPYL-1,4,7,10,12,15,19,25,28-NONAMETHYL-6,9,18,24-TETRAKIS(2-METHYLPROPYL)-1,4,7,10,13,16,19,22,25,28,31-UNDECAAZACYCLOTRITRIACONTAN-2,5,8,11,14,17,20,23,26,29,32-UNDECONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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