alpha-N-Dodecanoyl colistin nonapeptide hydrochloride
TL;DR: alpha-N-Dodecanoyl colistin nonapeptide hydrochloride (CAS 51887-91-3) is a chemical compound with molecular formula C52H99ClN14O12 and molecular weight 1146.73 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]dodecanamide;hydrochloride
Also Known As: alpha-N-n-Dodecanoyl colistin nonapeptide hydrochloride, alpha-N-Dodecanoyl colistin nonapeptide hydrochloride, Polymyxin E(sub 1), 1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(1-oxododecyl)-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]dodecanamide hydrochloride
| Molecular Formula | C52H99ClN14O12 |
|---|---|
| Molecular Weight | 1146.73 g/mol |
| LogP | -2.5388 |
| Topological Polar Surface Area | 435.54 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 29 |
| Exact Mass | 1146.7256 |
| Heavy Atoms | 79 |
| Complexity | 1900.0101 |
Chemical Identifiers
| CAS Number | 51887-91-3 |
|---|---|
| SMILES | CCCCCCCCCCCC(=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-Dodecanoyl colistin nonapeptide hydrochloride (CAS 51887-91-3), with molecular formula C52H99ClN14O12 and molecular weight 1146.73 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]dodecanamide;hydrochloride.
Chemical Property Profile of alpha-N-Dodecanoyl colistin nonapeptide hydrochloride
Property Insights of alpha-N-Dodecanoyl colistin nonapeptide hydrochloride
The XLogP value of -2.5388 indicates that alpha-N-Dodecanoyl 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-Dodecanoyl colistin nonapeptide hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-N-Dodecanoyl 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-Dodecanoyl colistin nonapeptide hydrochloride?
The CAS number of alpha-N-Dodecanoyl colistin nonapeptide hydrochloride is 51887-91-3.
What is the molecular formula of alpha-N-Dodecanoyl colistin nonapeptide hydrochloride?
The molecular formula of alpha-N-Dodecanoyl colistin nonapeptide hydrochloride is C52H99ClN14O12.
What is the molecular weight of alpha-N-Dodecanoyl colistin nonapeptide hydrochloride?
The molecular weight of alpha-N-Dodecanoyl colistin nonapeptide hydrochloride is 1146.73 g/mol.
Where can I buy alpha-N-Dodecanoyl colistin nonapeptide hydrochloride?
You can request a quote for alpha-N-Dodecanoyl 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-Dodecanoyl colistin nonapeptide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-N-Dodecanoyl colistin nonapeptide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.