Octapeptin
TL;DR: Octapeptin (CAS 39342-08-0) is a chemical compound with molecular formula C49H93N13O10 and molecular weight 1023.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-8-methyl-N-[(3S,6S,9S,12S,15S,18S,21S,24S)-6,9,18,21-tetrakis(2-aminoethyl)-3,12,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclohexacos-24-yl]decanamide
Also Known As: Antibiotic EM49, Octapeptin antibiotics, Octapeptin, 3-hydroxy-8-methyl-N-[(3S,6S,9S,12S,15S,18S,21S,24S)-6,9,18,21-tetrakis(2-aminoethyl)-3,12,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclohexacos-24-yl]decanamide
| Molecular Formula | C49H93N13O10 |
|---|---|
| Molecular Weight | 1023.72 g/mol |
| LogP | -1.7243 |
| Topological Polar Surface Area | 386.21 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 23 |
| Exact Mass | 1023.71686 |
| Heavy Atoms | 72 |
| Complexity | 1720.1537 |
Chemical Identifiers
| CAS Number | 39342-08-0 |
|---|---|
| SMILES | CCC(C)CCCCC(CC(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCN)CCN)CC(C)C)CC(C)C)CCN)CCN)CC(C)C)O |
Product Overview
Octapeptin (CAS 39342-08-0), with molecular formula C49H93N13O10 and molecular weight 1023.72 g/mol. IUPAC: 3-hydroxy-8-methyl-N-[(3S,6S,9S,12S,15S,18S,21S,24S)-6,9,18,21-tetrakis(2-aminoethyl)-3,12,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclohexacos-24-yl]decanamide.
Chemical Property Profile of Octapeptin
Property Insights of Octapeptin
The XLogP value of -1.7243 indicates that Octapeptin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 386.21 Ų indicates high polarity, suggesting Octapeptin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Octapeptin has 14 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 Octapeptin?
The CAS number of Octapeptin is 39342-08-0.
What is the molecular formula of Octapeptin?
The molecular formula of Octapeptin is C49H93N13O10.
What is the molecular weight of Octapeptin?
The molecular weight of Octapeptin is 1023.72 g/mol.
Where can I buy Octapeptin?
You can request a quote for Octapeptin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octapeptin?
Yes, KEHONG BIO provides custom synthesis services for Octapeptin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.