Ceftiguanide
TL;DR: Ceftiguanide (CAS 28240-16-6) is a chemical compound with molecular formula C12H13ClN2O6S and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(acetyloxymethyl)-7-[(2-chloroacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: CEFTIGUANIDE, Cefathiamidine Impurity 6, CEFATHIAMIDINE IMPURITY 3, (7R)-7-[[(Chloromethyl)carbonyl]amino]-3-[(acetyloxy)methyl]cepham-3-ene-4-carboxylic acid, (6R,7R)-3-(acetoxymethyl)-7-(2-chloroacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C12H13ClN2O6S |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | -0.4731 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.01828 |
| Heavy Atoms | 22 |
| Complexity | 577.9638 |
Chemical Identifiers
| CAS Number | 28240-16-6 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCl)SC1)C(=O)O |
Product Overview
Ceftiguanide (CAS 28240-16-6), with molecular formula C12H13ClN2O6S and molecular weight 348.02 g/mol. IUPAC: (6R,7R)-3-(acetyloxymethyl)-7-[(2-chloroacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Ceftiguanide
Property Insights of Ceftiguanide
The XLogP value of -0.4731 indicates that Ceftiguanide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Ceftiguanide. Following Lipinski's Rule of Five, Ceftiguanide has 2 hydrogen bond donor(s) and 6 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 Ceftiguanide?
The CAS number of Ceftiguanide is 28240-16-6.
What is the molecular formula of Ceftiguanide?
The molecular formula of Ceftiguanide is C12H13ClN2O6S.
What is the molecular weight of Ceftiguanide?
The molecular weight of Ceftiguanide is 348.02 g/mol.
Where can I buy Ceftiguanide?
You can request a quote for Ceftiguanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ceftiguanide?
Yes, KEHONG BIO provides custom synthesis services for Ceftiguanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.