Colistin nonapeptide hydrochloride
TL;DR: Colistin nonapeptide hydrochloride (CAS 52396-32-4) is a chemical compound with molecular formula C40H77ClN14O11 and molecular weight 964.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(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]-3-hydroxybutanamide;hydrochloride
Also Known As: Colistin nonapeptide hydrochloride, 1-De(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)polymyxin E1 hydrochloride, Polymyxin E1, 1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-, hydrochloride, 2-amino-N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(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]-3-hydroxybutanamide hydrochloride
| Molecular Formula | C40H77ClN14O11 |
|---|---|
| Molecular Weight | 964.56 g/mol |
| LogP | -6.6172 |
| Topological Polar Surface Area | 432.46 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Exact Mass | 964.5585 |
| Heavy Atoms | 66 |
| Complexity | 1608.5951 |
Chemical Identifiers
| CAS Number | 52396-32-4 |
|---|---|
| SMILES | CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)N1)CCN)NC(=O)C(CCN)NC(=O)C(C(C)O)N)C(C)O)CCN)CCN)CC(C)C.Cl |
Product Overview
Colistin nonapeptide hydrochloride (CAS 52396-32-4), with molecular formula C40H77ClN14O11 and molecular weight 964.56 g/mol. IUPAC: 2-amino-N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(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]-3-hydroxybutanamide;hydrochloride.
Chemical Property Profile of Colistin nonapeptide hydrochloride
Property Insights of Colistin nonapeptide hydrochloride
The XLogP value of -6.6172 indicates that Colistin nonapeptide hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 432.46 Ų indicates high polarity, suggesting Colistin nonapeptide hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Colistin nonapeptide hydrochloride has 16 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 Colistin nonapeptide hydrochloride?
The CAS number of Colistin nonapeptide hydrochloride is 52396-32-4.
What is the molecular formula of Colistin nonapeptide hydrochloride?
The molecular formula of Colistin nonapeptide hydrochloride is C40H77ClN14O11.
What is the molecular weight of Colistin nonapeptide hydrochloride?
The molecular weight of Colistin nonapeptide hydrochloride is 964.56 g/mol.
Where can I buy Colistin nonapeptide hydrochloride?
You can request a quote for Colistin nonapeptide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Colistin nonapeptide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Colistin nonapeptide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.