(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
| 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.
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
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
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.