alpha-N-Undecanoyl colistin nonapeptide hydrochloride
TL;DR: alpha-N-Undecanoyl colistin nonapeptide hydrochloride (CAS 51887-90-2) is a chemical compound with molecular formula C51H97ClN14O12 and molecular weight 1132.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[[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]amino]-3-hydroxy-1-oxobutan-2-yl]undecanamide;hydrochloride
Also Known As: alpha-N-n-Undecanoyl colistin nonapeptide hydrochloride, alpha-N-Undecanoyl colistin nonapeptide hydrochloride, ha-N-Undecanoyl colistin nonapeptide hydrochloride, Polymyxin E(sub 1), 1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(1-oxoundecyl)-L-threonine)-, hydrochloride, N-[1-[[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]amino]-3-hydroxy-1-oxobutan-2-yl]undecanamide hydrochloride
| Molecular Formula | C51H97ClN14O12 |
|---|---|
| Molecular Weight | 1132.71 g/mol |
| LogP | -2.9289 |
| Topological Polar Surface Area | 435.54 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 28 |
| Exact Mass | 1132.7098 |
| Heavy Atoms | 78 |
| Complexity | 1882.4608 |
Chemical Identifiers
| CAS Number | 51887-90-2 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)C(C)O.Cl |
Product Overview
alpha-N-Undecanoyl colistin nonapeptide hydrochloride (CAS 51887-90-2), with molecular formula C51H97ClN14O12 and molecular weight 1132.71 g/mol. IUPAC: N-[1-[[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]amino]-3-hydroxy-1-oxobutan-2-yl]undecanamide;hydrochloride.
Chemical Property Profile of alpha-N-Undecanoyl colistin nonapeptide hydrochloride
Property Insights of alpha-N-Undecanoyl colistin nonapeptide hydrochloride
The XLogP value of -2.9289 indicates that alpha-N-Undecanoyl 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 alpha-N-Undecanoyl colistin nonapeptide hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-N-Undecanoyl 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 alpha-N-Undecanoyl colistin nonapeptide hydrochloride?
The CAS number of alpha-N-Undecanoyl colistin nonapeptide hydrochloride is 51887-90-2.
What is the molecular formula of alpha-N-Undecanoyl colistin nonapeptide hydrochloride?
The molecular formula of alpha-N-Undecanoyl colistin nonapeptide hydrochloride is C51H97ClN14O12.
What is the molecular weight of alpha-N-Undecanoyl colistin nonapeptide hydrochloride?
The molecular weight of alpha-N-Undecanoyl colistin nonapeptide hydrochloride is 1132.71 g/mol.
Where can I buy alpha-N-Undecanoyl colistin nonapeptide hydrochloride?
You can request a quote for alpha-N-Undecanoyl 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 alpha-N-Undecanoyl colistin nonapeptide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-N-Undecanoyl colistin nonapeptide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.