Cefoperazone monobactam
TL;DR: Cefoperazone monobactam (CAS 86702-45-6) is a chemical compound with molecular formula C18H21N5O9S and molecular weight 483.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoazetidine-1-sulfonic acid
Also Known As: Cefoperazon monobaktam, Cefoperazone monobactam, (3S)-3-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoazetidine-1-sulfonic acid, 1-Azetidinesulfonic acid, 3-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-2-oxo-, (S-(R*,S*))-, (3S)-3-[[(2R)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-oxo-azetidine-1-sulfonic acid
| Molecular Formula | C18H21N5O9S |
|---|---|
| Molecular Weight | 483.11 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.106 |
| Heavy Atoms | 33 |
| Complexity | 941.0 |
Chemical Identifiers
| CAS Number | 86702-45-6 |
|---|---|
| SMILES | CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3CN(C3=O)S(=O)(=O)O |
| InChIKey | NMCHLNSQORAFHJ-QWHCGFSZSA-N |
Product Overview
Cefoperazone monobactam (CAS 86702-45-6), with molecular formula C18H21N5O9S and molecular weight 483.11 g/mol. IUPAC: (3S)-3-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoazetidine-1-sulfonic acid.
Chemical Property Profile of Cefoperazone monobactam
Property Insights of Cefoperazone monobactam
The XLogP value of -0.4 indicates that Cefoperazone monobactam is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting Cefoperazone monobactam may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cefoperazone monobactam has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cefoperazone monobactam?
The CAS number of Cefoperazone monobactam is 86702-45-6.
What is the molecular formula of Cefoperazone monobactam?
The molecular formula of Cefoperazone monobactam is C18H21N5O9S.
What is the molecular weight of Cefoperazone monobactam?
The molecular weight of Cefoperazone monobactam is 483.11 g/mol.
Where can I buy Cefoperazone monobactam?
You can request a quote for Cefoperazone monobactam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cefoperazone monobactam?
Yes, KEHONG BIO provides custom synthesis services for Cefoperazone monobactam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.