头孢哌酮
TL;DR: 头孢哌酮 (CAS 62893-19-0) is a chemical compound with molecular formula C25H27N9O8S2 and molecular weight 645.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢哌酮
7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: cefoperazone, Cefoperazonum, Cefoperazon, Cefoperazono, Cefobid
| Molecular Formula | C25H27N9O8S2 |
|---|---|
| Molecular Weight | 645.14 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 271.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 645.1424 |
| Heavy Atoms | 44 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 62893-19-0 |
|---|---|
| SMILES | CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O |
| InChIKey | GCFBRXLSHGKWDP-UHFFFAOYSA-N |
Product Overview
头孢哌酮 (CAS 62893-19-0), with molecular formula C25H27N9O8S2 and molecular weight 645.14 g/mol. IUPAC: 7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢哌酮
Property Insights of 头孢哌酮
The XLogP value of -0.7 indicates that 头孢哌酮 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 271.0 Ų indicates high polarity, suggesting 头孢哌酮 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢哌酮 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 头孢哌酮?
The CAS number of 头孢哌酮 is 62893-19-0.
What is the molecular formula of 头孢哌酮?
The molecular formula of 头孢哌酮 is C25H27N9O8S2.
What is the molecular weight of 头孢哌酮?
The molecular weight of 头孢哌酮 is 645.14 g/mol.
Where can I buy 头孢哌酮?
You can request a quote for 头孢哌酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢哌酮?
Yes, KEHONG BIO provides custom synthesis services for 头孢哌酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.