RefChem:405225
TL;DR: RefChem:405225 (CAS 100988-63-4) is a chemical compound with molecular formula C13H14IN3O3S and molecular weight 418.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid iodide
Also Known As: EC 423-260-0, pyridinium-7-aminocephalosporonic acid hydroiodide, (6R-trans)-1-((7-Ammonio-2-carboxylato-8-oxo-5-thia-1-azabicyclo-(4.2.0)oct-2-en-3-yl)methyl)pyridinium iodide, PYRIDINUM-7-AMINOCEPHALOSPORONIC ACID HYDROIODIDE, N-(7-Aminocephem-3-em-3-ylmethyl)pyridinium-4-carboxylate hydriodide
| Molecular Formula | C13H14IN3O3S |
|---|---|
| Molecular Weight | 418.98 g/mol |
| LogP | -3.44 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.98007 |
| Heavy Atoms | 21 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 100988-63-4 |
|---|---|
| SMILES | C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)C[N+]3=CC=CC=C3.[I-] |
| InChIKey | SZYIIYPUOUTNDY-UHFFFAOYSA-N |
Product Overview
RefChem:405225 (CAS 100988-63-4), with molecular formula C13H14IN3O3S and molecular weight 418.98 g/mol. IUPAC: 7-amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid iodide.
Chemical Property Profile of RefChem:405225
Property Insights of RefChem:405225
The XLogP value of -3.44 indicates that RefChem:405225 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:405225. Following Lipinski's Rule of Five, RefChem:405225 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 RefChem:405225?
The CAS number of RefChem:405225 is 100988-63-4.
What is the molecular formula of RefChem:405225?
The molecular formula of RefChem:405225 is C13H14IN3O3S.
What is the molecular weight of RefChem:405225?
The molecular weight of RefChem:405225 is 418.98 g/mol.
Where can I buy RefChem:405225?
You can request a quote for RefChem:405225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:405225?
Yes, KEHONG BIO provides custom synthesis services for RefChem:405225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.