Polymyxin B Nonapeptide
TL;DR: Polymyxin B Nonapeptide (CAS 86408-36-8) is a chemical compound with molecular formula C43H74N14O11 and molecular weight 962.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-2-amino-N-[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(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-hydroxybutanamide
Also Known As: polymyxin B nonapeptide, PMBN, Polymyxin B cyclononapeptide, 2-10-Polymyxin B1, Polymyxin B nonapeptide hydrochloride
| Molecular Formula | C43H74N14O11 |
|---|---|
| Molecular Weight | 962.57 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 432.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Exact Mass | 962.56616 |
| Heavy Atoms | 68 |
| Complexity | 1690.0 |
Chemical Identifiers
| CAS Number | 86408-36-8 |
|---|---|
| SMILES | C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)CC(C)C)CC2=CC=CC=C2)CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)N)O |
| InChIKey | PYHYGIPVYYRJHU-QWDNBKTCSA-N |
Product Overview
Polymyxin B Nonapeptide (CAS 86408-36-8), with molecular formula C43H74N14O11 and molecular weight 962.57 g/mol. IUPAC: (2S,3R)-2-amino-N-[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(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-hydroxybutanamide.
Chemical Property Profile of Polymyxin B Nonapeptide
Property Insights of Polymyxin B Nonapeptide
The XLogP value of -4.8 indicates that Polymyxin B Nonapeptide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 432.0 Ų indicates high polarity, suggesting Polymyxin B Nonapeptide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Polymyxin B Nonapeptide 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 Polymyxin B Nonapeptide?
The CAS number of Polymyxin B Nonapeptide is 86408-36-8.
What is the molecular formula of Polymyxin B Nonapeptide?
The molecular formula of Polymyxin B Nonapeptide is C43H74N14O11.
What is the molecular weight of Polymyxin B Nonapeptide?
The molecular weight of Polymyxin B Nonapeptide is 962.57 g/mol.
Where can I buy Polymyxin B Nonapeptide?
You can request a quote for Polymyxin B Nonapeptide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Polymyxin B Nonapeptide?
Yes, KEHONG BIO provides custom synthesis services for Polymyxin B Nonapeptide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.