2-Phenylbutyryl colistin nonapeptide hydrochloride
TL;DR: 2-Phenylbutyryl colistin nonapeptide hydrochloride (CAS 52438-36-5) is a chemical compound with molecular formula C50H87ClN14O12 and molecular weight 1110.63 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-phenylbutanoylamino)butanamide;hydrochloride
Also Known As: 2-Phenylbutyryl colistin nonapeptide hydrochloride, Polymyxin E1, 1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(1-oxo-2-phenylbutyl)-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-phenylbutanoylamino)butanamide hydrochloride
| Molecular Formula | C50H87ClN14O12 |
|---|---|
| Molecular Weight | 1110.63 g/mol |
| LogP | -4.2659 |
| Topological Polar Surface Area | 435.54 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Exact Mass | 1110.6316 |
| Heavy Atoms | 77 |
| Complexity | 2088.045 |
Chemical Identifiers
| CAS Number | 52438-36-5 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC2CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CCN)CC(C)C)CC(C)C)CCN)CCN)C(C)O.Cl |
Product Overview
2-Phenylbutyryl colistin nonapeptide hydrochloride (CAS 52438-36-5), with molecular formula C50H87ClN14O12 and molecular weight 1110.63 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-phenylbutanoylamino)butanamide;hydrochloride.
Chemical Property Profile of 2-Phenylbutyryl colistin nonapeptide hydrochloride
Property Insights of 2-Phenylbutyryl colistin nonapeptide hydrochloride
The XLogP value of -4.2659 indicates that 2-Phenylbutyryl colistin nonapeptide hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 435.54 Ų indicates high polarity, suggesting 2-Phenylbutyryl colistin nonapeptide hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Phenylbutyryl 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 2-Phenylbutyryl colistin nonapeptide hydrochloride?
The CAS number of 2-Phenylbutyryl colistin nonapeptide hydrochloride is 52438-36-5.
What is the molecular formula of 2-Phenylbutyryl colistin nonapeptide hydrochloride?
The molecular formula of 2-Phenylbutyryl colistin nonapeptide hydrochloride is C50H87ClN14O12.
What is the molecular weight of 2-Phenylbutyryl colistin nonapeptide hydrochloride?
The molecular weight of 2-Phenylbutyryl colistin nonapeptide hydrochloride is 1110.63 g/mol.
Where can I buy 2-Phenylbutyryl colistin nonapeptide hydrochloride?
You can request a quote for 2-Phenylbutyryl 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 2-Phenylbutyryl colistin nonapeptide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylbutyryl colistin nonapeptide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.