A1-226
TL;DR: A1-226 (CAS 6629-89-6) is a chemical compound with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
A1-226
(6R,7R)-7-[(2-hydroxy-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: A1-226, KST-1A7249, A 1226, (6R,7R)-7-[(2-hydroxy-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(alpha-Hydroxy-alpha-phenylacetamido)-3-methyl-3-cephem-4-carboxylic acid
| Molecular Formula | C16H16N2O5S |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.078 |
| Heavy Atoms | 24 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 6629-89-6 |
|---|---|
| SMILES | CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)O)SC1)C(=O)O |
| InChIKey | BMYHQZVYLLQHKO-KCOKAVLFSA-N |
Product Overview
A1-226 (CAS 6629-89-6), with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol. IUPAC: (6R,7R)-7-[(2-hydroxy-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of A1-226
Property Insights of A1-226
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1-226. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A1-226. Following Lipinski's Rule of Five, A1-226 has 3 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 A1-226?
The CAS number of A1-226 is 6629-89-6.
What is the molecular formula of A1-226?
The molecular formula of A1-226 is C16H16N2O5S.
What is the molecular weight of A1-226?
The molecular weight of A1-226 is 348.08 g/mol.
Where can I buy A1-226?
You can request a quote for A1-226 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1-226?
Yes, KEHONG BIO provides custom synthesis services for A1-226 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.