Cefradine Impurity 12
TL;DR: Cefradine Impurity 12 (CAS 85896-06-6) is a chemical compound with molecular formula C13H16NNaO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium (2R)-2-cyclohexa-1,4-dien-1-yl-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate
Also Known As: Cefradine Impurity 12, Sodium (R,E)-2-(cyclohexa-1,4-dien-1-yl)-2-((4-methoxy-4-oxobut-2-en-2-yl)amino)acetate, EINECS 248-000-1, I04-8484, sodium;(2R)-2-cyclohexa-1,4-dien-1-yl-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate
| Molecular Formula | C13H16NNaO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | -2.9483 |
| Topological Polar Surface Area | 78.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.09772 |
| Heavy Atoms | 19 |
| Complexity | 426.35916 |
Chemical Identifiers
| CAS Number | 85896-06-6 |
|---|---|
| SMILES | C/C(=C\C(=O)OC)/N[C@H](C1=CCC=CC1)C(=O)[O-].[Na+] |
Product Overview
Cefradine Impurity 12 (CAS 85896-06-6), with molecular formula C13H16NNaO4 and molecular weight 273.10 g/mol. IUPAC: sodium (2R)-2-cyclohexa-1,4-dien-1-yl-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate.
Chemical Property Profile of Cefradine Impurity 12
Property Insights of Cefradine Impurity 12
The XLogP value of -2.9483 indicates that Cefradine Impurity 12 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Cefradine Impurity 12. Following Lipinski's Rule of Five, Cefradine Impurity 12 has 1 hydrogen bond donor(s) and 5 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 Cefradine Impurity 12?
The CAS number of Cefradine Impurity 12 is 85896-06-6.
What is the molecular formula of Cefradine Impurity 12?
The molecular formula of Cefradine Impurity 12 is C13H16NNaO4.
What is the molecular weight of Cefradine Impurity 12?
The molecular weight of Cefradine Impurity 12 is 273.10 g/mol.
Where can I buy Cefradine Impurity 12?
You can request a quote for Cefradine Impurity 12 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cefradine Impurity 12?
Yes, KEHONG BIO provides custom synthesis services for Cefradine Impurity 12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.