Mycosubtilin
TL;DR: Mycosubtilin (CAS 59112-50-4) is a chemical compound with molecular formula C55H86N14O16 and molecular weight 1198.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,6S,13S,16R,19R,22R,25R,28S)-6,13,19,22-tetrakis(2-amino-2-oxoethyl)-16-(hydroxymethyl)-25-[(4-hydroxyphenyl)methyl]-10-(11-methyltridecyl)-2,5,8,12,15,18,21,24,27-nonaoxo-1,4,7,11,14,17,20,23,26-nonazabicyclo[26.3.0]hentriacontan-3-yl]propanamide
Also Known As: Mycosubtilin, Mycosubtiline, Mycosubtilin, from Bacillus subtilis, 3-[(3S,6S,13S,16R,19R,22R,25R,28S)-6,13,19,22-tetrakis(2-amino-2-oxoethyl)-16-(hydroxymethyl)-25-[(4-hydroxyphenyl)methyl]-10-(11-methyltridecyl)-2,5,8,12,15,18,21,24,27-nonaoxo-1,4,7,11,14,17,20,23,26-nonazabicyclo[26.3.0]hentriacontan-3-yl]propanamide, Pyrrolo(1,2-g)(1,4,7,10,13,16,19,22,25)nonaazacyclooctacosine, cyclic peptide deriv.
| Molecular Formula | C55H86N14O16 |
|---|---|
| Molecular Weight | 1198.63 g/mol |
| LogP | -4.0857 |
| Topological Polar Surface Area | 509.02 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 26 |
| Exact Mass | 1198.6346 |
| Heavy Atoms | 85 |
| Complexity | 2534.918 |
Chemical Identifiers
| CAS Number | 59112-50-4 |
|---|---|
| SMILES | CCC(C)CCCCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=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)N1)CC(=O)N)CO)CC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CCC(=O)N)CC(=O)N |
Product Overview
Mycosubtilin (CAS 59112-50-4), with molecular formula C55H86N14O16 and molecular weight 1198.63 g/mol. IUPAC: 3-[(3S,6S,13S,16R,19R,22R,25R,28S)-6,13,19,22-tetrakis(2-amino-2-oxoethyl)-16-(hydroxymethyl)-25-[(4-hydroxyphenyl)methyl]-10-(11-methyltridecyl)-2,5,8,12,15,18,21,24,27-nonaoxo-1,4,7,11,14,17,20,23,26-nonazabicyclo[26.3.0]hentriacontan-3-yl]propanamide.
Chemical Property Profile of Mycosubtilin
Property Insights of Mycosubtilin
The XLogP value of -4.0857 indicates that Mycosubtilin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 509.02 Ų indicates high polarity, suggesting Mycosubtilin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mycosubtilin has 15 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mycosubtilin?
The CAS number of Mycosubtilin is 59112-50-4.
What is the molecular formula of Mycosubtilin?
The molecular formula of Mycosubtilin is C55H86N14O16.
What is the molecular weight of Mycosubtilin?
The molecular weight of Mycosubtilin is 1198.63 g/mol.
Where can I buy Mycosubtilin?
You can request a quote for Mycosubtilin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mycosubtilin?
Yes, KEHONG BIO provides custom synthesis services for Mycosubtilin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.