Surfactin
TL;DR: Surfactin (CAS 1393353-89-3) is a chemical compound with molecular formula C53H93N7O13 and molecular weight 1035.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
Also Known As: Surfactin, surfactin C, surfactin peptide, Leu7-Surfactin, Surfactin C1
| Molecular Formula | C53H93N7O13 |
|---|---|
| Molecular Weight | 1035.68 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 305.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 24 |
| Exact Mass | 1035.6831 |
| Heavy Atoms | 73 |
| Complexity | 1800.0 |
Chemical Identifiers
| CAS Number | 1393353-89-3 |
|---|---|
| SMILES | CC(C)CCCCCCCCC[C@@H]1CC(=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)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O |
| InChIKey | NJGWOFRZMQRKHT-WGVNQGGSSA-N |
Product Overview
Surfactin (CAS 1393353-89-3), with molecular formula C53H93N7O13 and molecular weight 1035.68 g/mol. IUPAC: 3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid.
Chemical Property Profile of Surfactin
Property Insights of Surfactin
The XLogP value of 8.8 indicates that Surfactin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 305.0 Ų indicates high polarity, suggesting Surfactin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Surfactin has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Surfactin?
The CAS number of Surfactin is 1393353-89-3.
What is the molecular formula of Surfactin?
The molecular formula of Surfactin is C53H93N7O13.
What is the molecular weight of Surfactin?
The molecular weight of Surfactin is 1035.68 g/mol.
Where can I buy Surfactin?
You can request a quote for Surfactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Surfactin?
Yes, KEHONG BIO provides custom synthesis services for Surfactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.