Cyclopeptolide 1
TL;DR: Cyclopeptolide 1 (CAS 159404-79-2) is a chemical compound with molecular formula C57H91N9O14 and molecular weight 1125.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-di(butan-2-yl)-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-9,24,27-tri(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acid
Also Known As: Cyclopeptolide 1, CYCLOPEPTOLIDE DER., 2-[(3S,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-di(butan-2-yl)-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-9,24,27-tri(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acid, L-Tyrosine, N-(N-(N-(N-(N-(N-(N-(N-((1-(2-hydroxy-1-oxopropyl)-L-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N-methyl-L-a-aspartyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, delta1-lactone, (S)-, 2-[(3S,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-di(butan-2-yl)-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-9,24,27-tri(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetic
| Molecular Formula | C57H91N9O14 |
|---|---|
| Molecular Weight | 1125.67 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 282.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 1125.6686 |
| Heavy Atoms | 80 |
| Complexity | 2200.0 |
Chemical Identifiers
| CAS Number | 159404-79-2 |
|---|---|
| SMILES | CCC(C)[C@H]1C(=O)NCC(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@H](C(=O)N2CCCC[C@H]2C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)CC)C)CC(=O)O)C)C(C)C)C(C)C)C)C)CC3=CC=C(C=C3)OC)C(C)C)C |
| InChIKey | WRIUTPDMSISMSW-HWLKPAACSA-N |
Product Overview
Cyclopeptolide 1 (CAS 159404-79-2), with molecular formula C57H91N9O14 and molecular weight 1125.67 g/mol. IUPAC: 2-[(3S,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-di(butan-2-yl)-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-9,24,27-tri(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acid.
Chemical Property Profile of Cyclopeptolide 1
Property Insights of Cyclopeptolide 1
The XLogP value of 5.4 indicates that Cyclopeptolide 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 282.0 Ų indicates high polarity, suggesting Cyclopeptolide 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclopeptolide 1 has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclopeptolide 1?
The CAS number of Cyclopeptolide 1 is 159404-79-2.
What is the molecular formula of Cyclopeptolide 1?
The molecular formula of Cyclopeptolide 1 is C57H91N9O14.
What is the molecular weight of Cyclopeptolide 1?
The molecular weight of Cyclopeptolide 1 is 1125.67 g/mol.
Where can I buy Cyclopeptolide 1?
You can request a quote for Cyclopeptolide 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopeptolide 1?
Yes, KEHONG BIO provides custom synthesis services for Cyclopeptolide 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.