Phenoxyacetyl colistin nonapeptide hydrochloride
TL;DR: Phenoxyacetyl colistin nonapeptide hydrochloride (CAS 52396-34-6) is a chemical compound with molecular formula C48H83ClN14O13 and molecular weight 1098.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-hydroxy-2-[(2-phenoxyacetyl)amino]butanamide;hydrochloride
Also Known As: Phenoxyacetyl colistin nonapeptide hydrochloride, Polymyxin E1, 1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(phenoxyacetyl)-L-threonine)-, hydrochloride, 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-hydroxy-2-[(2-phenoxyacetyl)amino]butanamide hydrochloride
| Molecular Formula | C48H83ClN14O13 |
|---|---|
| Molecular Weight | 1098.60 g/mol |
| LogP | -5.3807 |
| Topological Polar Surface Area | 444.77 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 22 |
| Exact Mass | 1098.5952 |
| Heavy Atoms | 76 |
| Complexity | 2054.9731 |
Chemical Identifiers
| CAS Number | 52396-34-6 |
|---|---|
| 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)NC(=O)COC2=CC=CC=C2)C(C)O)CCN)CCN)CC(C)C.Cl |
Product Overview
Phenoxyacetyl colistin nonapeptide hydrochloride (CAS 52396-34-6), with molecular formula C48H83ClN14O13 and molecular weight 1098.60 g/mol. IUPAC: 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-hydroxy-2-[(2-phenoxyacetyl)amino]butanamide;hydrochloride.
Chemical Property Profile of Phenoxyacetyl colistin nonapeptide hydrochloride
Property Insights of Phenoxyacetyl colistin nonapeptide hydrochloride
The XLogP value of -5.3807 indicates that Phenoxyacetyl colistin nonapeptide hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 444.77 Ų indicates high polarity, suggesting Phenoxyacetyl colistin nonapeptide hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phenoxyacetyl colistin nonapeptide hydrochloride has 16 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenoxyacetyl colistin nonapeptide hydrochloride?
The CAS number of Phenoxyacetyl colistin nonapeptide hydrochloride is 52396-34-6.
What is the molecular formula of Phenoxyacetyl colistin nonapeptide hydrochloride?
The molecular formula of Phenoxyacetyl colistin nonapeptide hydrochloride is C48H83ClN14O13.
What is the molecular weight of Phenoxyacetyl colistin nonapeptide hydrochloride?
The molecular weight of Phenoxyacetyl colistin nonapeptide hydrochloride is 1098.60 g/mol.
Where can I buy Phenoxyacetyl colistin nonapeptide hydrochloride?
You can request a quote for Phenoxyacetyl 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 Phenoxyacetyl colistin nonapeptide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phenoxyacetyl colistin nonapeptide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.