Colistimethate
TL;DR: Colistimethate (CAS 748069-57-0) is a chemical compound with molecular formula C58H110N16O28S5 and molecular weight 1638.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[17-(1-hydroxyethyl)-22-[[2-[[3-hydroxy-2-[[2-(6-methyloctanoylamino)-4-(sulfomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfomethylamino)butanoyl]amino]-5,8-bis(2-methylpropyl)-3,6,9,12,15,18,23-heptaoxo-11,14-bis[2-(sulfomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonic acid
Also Known As: Colistimethate, Colistimethate sodium, Colistin sodium methanesulfonate, Colistin A hydrogen methanesulfonate, Colistin methanesulfonate sodium salt
| Molecular Formula | C58H110N16O28S5 |
|---|---|
| Molecular Weight | 1638.63 g/mol |
| LogP | -16.7 |
| Topological Polar Surface Area | 734.0 Ų |
| Hydrogen Bond Donors | 23 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 44 |
| Exact Mass | 1638.6279 |
| Heavy Atoms | 107 |
| Complexity | 3500.0 |
Chemical Identifiers
| CAS Number | 748069-57-0 |
|---|---|
| SMILES | CCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)O)C(=O)NC(C(C)O)C(=O)NC(CCNCS(=O)(=O)O)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCNCS(=O)(=O)O)CC(C)C)CC(C)C)CCNCS(=O)(=O)O)CCNCS(=O)(=O)O)C(C)O |
| InChIKey | BSSIRFLGSWHWDE-UHFFFAOYSA-N |
Product Overview
Colistimethate (CAS 748069-57-0), with molecular formula C58H110N16O28S5 and molecular weight 1638.63 g/mol. IUPAC: [2-[17-(1-hydroxyethyl)-22-[[2-[[3-hydroxy-2-[[2-(6-methyloctanoylamino)-4-(sulfomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfomethylamino)butanoyl]amino]-5,8-bis(2-methylpropyl)-3,6,9,12,15,18,23-heptaoxo-11,14-bis[2-(sulfomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonic acid.
Chemical Property Profile of Colistimethate
Property Insights of Colistimethate
The XLogP value of -16.7 indicates that Colistimethate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 734.0 Ų indicates high polarity, suggesting Colistimethate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Colistimethate has 23 hydrogen bond donor(s) and 33 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Colistimethate?
The CAS number of Colistimethate is 748069-57-0.
What is the molecular formula of Colistimethate?
The molecular formula of Colistimethate is C58H110N16O28S5.
What is the molecular weight of Colistimethate?
The molecular weight of Colistimethate is 1638.63 g/mol.
Where can I buy Colistimethate?
You can request a quote for Colistimethate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Colistimethate?
Yes, KEHONG BIO provides custom synthesis services for Colistimethate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.