(3S,6S,9S,12R,15S,18S,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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 83602-39-5) 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,21R,24S,30S)-30-ethyl-33-[(1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,22,25,28-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(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,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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 | 7.7 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 1215.857 |
| Heavy Atoms | 86 |
| Complexity | 2360.0 |
Chemical Identifiers
| CAS Number | 83602-39-5 |
|---|---|
| SMILES | CC[C@H]1C(=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)N(C(C(=O)N1)[C@@H]([C@H](C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C)CC(C)C)C)C |
| InChIKey | BQQHPBPTWWXRMU-FSFWYUOGSA-N |
Product Overview
(3S,6S,9S,12R,15S,18S,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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 83602-39-5), with molecular formula C63H113N11O12 and molecular weight 1215.86 g/mol. IUPAC: (3S,6S,9S,12R,15S,18S,21R,24S,30S)-30-ethyl-33-[(1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,22,25,28-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(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,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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 7.7 indicates that (3S,6S,9S,12R,15S,18S,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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 270.0 Ų indicates high polarity, suggesting (3S,6S,9S,12R,15S,18S,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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 4 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,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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 83602-39-5.
What is the molecular formula of (3S,6S,9S,12R,15S,18S,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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,21R,24S,30S)-30-ETHYL-33-[(1R,2R,4E)-1-HYDROXY-2-METHYLHEX-4-EN-1-YL]-3,21-DIISOPROPYL-1,4,7,10,12,15,19,22,25,28-DECAMETHYL-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.