Hexanoyl colistin nonapeptide HCl
TL;DR: Hexanoyl colistin nonapeptide HCl (CAS 51887-95-7) is a chemical compound with molecular formula C46H87ClN14O12 and molecular weight 1062.63 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]hexanamide;hydrochloride
Also Known As: Hexanoyl colistin nonapeptide HCl, n-Hexanoyl colistin nonapeptide hydrochloride, Polymyxin E1, 1-de(N(sup 2)-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-2-(N-(1-oxohexyl)-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]hexanamide hydrochloride
| Molecular Formula | C46H87ClN14O12 |
|---|---|
| Molecular Weight | 1062.63 g/mol |
| LogP | -4.8794 |
| Topological Polar Surface Area | 435.54 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 23 |
| Exact Mass | 1062.6316 |
| Heavy Atoms | 73 |
| Complexity | 1794.8969 |
Chemical Identifiers
| CAS Number | 51887-95-7 |
|---|---|
| SMILES | CCCCCC(=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
Hexanoyl colistin nonapeptide HCl (CAS 51887-95-7), with molecular formula C46H87ClN14O12 and molecular weight 1062.63 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]hexanamide;hydrochloride.
Chemical Property Profile of Hexanoyl colistin nonapeptide HCl
Property Insights of Hexanoyl colistin nonapeptide HCl
The XLogP value of -4.8794 indicates that Hexanoyl 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 Hexanoyl colistin nonapeptide HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexanoyl 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 Hexanoyl colistin nonapeptide HCl?
The CAS number of Hexanoyl colistin nonapeptide HCl is 51887-95-7.
What is the molecular formula of Hexanoyl colistin nonapeptide HCl?
The molecular formula of Hexanoyl colistin nonapeptide HCl is C46H87ClN14O12.
What is the molecular weight of Hexanoyl colistin nonapeptide HCl?
The molecular weight of Hexanoyl colistin nonapeptide HCl is 1062.63 g/mol.
Where can I buy Hexanoyl colistin nonapeptide HCl?
You can request a quote for Hexanoyl 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 Hexanoyl colistin nonapeptide HCl?
Yes, KEHONG BIO provides custom synthesis services for Hexanoyl colistin nonapeptide HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.