alpha-N-Tetradecanoyl colistin nonapeptide HCl
TL;DR: alpha-N-Tetradecanoyl colistin nonapeptide HCl (CAS 51887-92-4) is a chemical compound with molecular formula C54H103ClN14O12 and molecular weight 1174.76 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]tetradecanamide;hydrochloride
Also Known As: alpha-N-Tetradecanoyl colistin nonapeptide HCl, alpha-N-n-Tetradecanoyl colistin nonapeptide hydrochloride, Polymyxin E(sub 1), 1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(1-oxotetradecyl)-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]tetradecanamide hydrochloride
| Molecular Formula | C54H103ClN14O12 |
|---|---|
| Molecular Weight | 1174.76 g/mol |
| LogP | -1.7586 |
| Topological Polar Surface Area | 435.54 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 31 |
| Exact Mass | 1174.7568 |
| Heavy Atoms | 81 |
| Complexity | 1935.1465 |
Chemical Identifiers
| CAS Number | 51887-92-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=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-Tetradecanoyl colistin nonapeptide HCl (CAS 51887-92-4), with molecular formula C54H103ClN14O12 and molecular weight 1174.76 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]tetradecanamide;hydrochloride.
Chemical Property Profile of alpha-N-Tetradecanoyl colistin nonapeptide HCl
Property Insights of alpha-N-Tetradecanoyl colistin nonapeptide HCl
The XLogP value of -1.7586 indicates that alpha-N-Tetradecanoyl colistin nonapeptide HCl 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-Tetradecanoyl colistin nonapeptide HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-N-Tetradecanoyl colistin nonapeptide HCl 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-Tetradecanoyl colistin nonapeptide HCl?
The CAS number of alpha-N-Tetradecanoyl colistin nonapeptide HCl is 51887-92-4.
What is the molecular formula of alpha-N-Tetradecanoyl colistin nonapeptide HCl?
The molecular formula of alpha-N-Tetradecanoyl colistin nonapeptide HCl is C54H103ClN14O12.
What is the molecular weight of alpha-N-Tetradecanoyl colistin nonapeptide HCl?
The molecular weight of alpha-N-Tetradecanoyl colistin nonapeptide HCl is 1174.76 g/mol.
Where can I buy alpha-N-Tetradecanoyl colistin nonapeptide HCl?
You can request a quote for alpha-N-Tetradecanoyl colistin nonapeptide HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-N-Tetradecanoyl colistin nonapeptide HCl?
Yes, KEHONG BIO provides custom synthesis services for alpha-N-Tetradecanoyl colistin nonapeptide HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.