Colistin A
TL;DR: Colistin A (CAS 7722-44-3) is a chemical compound with molecular formula C53H100N16O13 and molecular weight 1168.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
Also Known As: Colistin A, Polymyxin E1, Colistin IV, Polymixin E1, colistin
| Molecular Formula | C53H100N16O13 |
|---|---|
| Molecular Weight | 1168.77 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 491.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 29 |
| Exact Mass | 1168.7656 |
| Heavy Atoms | 82 |
| Complexity | 2070.0 |
Chemical Identifiers
| CAS Number | 7722-44-3 |
|---|---|
| SMILES | CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=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](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O |
| InChIKey | XDJYMJULXQKGMM-RVYUQJQSSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Colistin A (CAS 7722-44-3), with molecular formula C53H100N16O13 and molecular weight 1168.77 g/mol. IUPAC: (6R)-N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide.
Chemical Property Profile of Colistin A
Property Insights of Colistin A
The XLogP value of -2.8 indicates that Colistin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 491.0 Ų indicates high polarity, suggesting Colistin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Colistin A has 18 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Colistin A?
The CAS number of Colistin A is 7722-44-3.
What is the molecular formula of Colistin A?
The molecular formula of Colistin A is C53H100N16O13.
What is the molecular weight of Colistin A?
The molecular weight of Colistin A is 1168.77 g/mol.
Where can I buy Colistin A?
You can request a quote for Colistin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Colistin A?
Yes, KEHONG BIO provides custom synthesis services for Colistin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.