气孢菌素
TL;DR: 气孢菌素 (CAS 1404-26-8) is a chemical compound with molecular formula C56H98N16O13 and molecular weight 1202.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
气孢菌素
N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(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]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
Also Known As: polymyxin b, Aerosporin, Polymyxin B1-d3, Polymixin B sulfate, Polymyxin B sulfate
| Molecular Formula | C56H98N16O13 |
|---|---|
| Molecular Weight | 1202.75 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 491.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 29 |
| Exact Mass | 1202.7499 |
| Heavy Atoms | 85 |
| Complexity | 2150.0 |
| Solubility | 7.44e-02 g/L |
Chemical Identifiers
| CAS Number | 1404-26-8 |
|---|---|
| SMILES | CCC(C)CCCCC(=O)NC(CCN)C(=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)CC2=CC=CC=C2)CC(C)C)CCN)CCN)C(C)O |
| InChIKey | WQVJHHACXVLGBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
气孢菌素 (CAS 1404-26-8), with molecular formula C56H98N16O13 and molecular weight 1202.75 g/mol. IUPAC: N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(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]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide.
Chemical Property Profile of 气孢菌素
Property Insights of 气孢菌素
The XLogP value of -2.5 indicates that 气孢菌素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 491.0 Ų indicates high polarity, suggesting 气孢菌素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 气孢菌素 has 18 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 气孢菌素?
The CAS number of 气孢菌素 is 1404-26-8.
What is the molecular formula of 气孢菌素?
The molecular formula of 气孢菌素 is C56H98N16O13.
What is the molecular weight of 气孢菌素?
The molecular weight of 气孢菌素 is 1202.75 g/mol.
Where can I buy 气孢菌素?
You can request a quote for 气孢菌素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 气孢菌素?
Yes, KEHONG BIO provides custom synthesis services for 气孢菌素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.