阿西他诺司
TL;DR: 阿西他诺司 (CAS 114607-46-4) is a chemical compound with molecular formula C9H7N5O3 and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿西他诺司
2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid
Also Known As: Acitazanolast, MTCC, Zepelin, acitazanolastum, Zepenolast
| Molecular Formula | C9H7N5O3 |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.05489 |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 114607-46-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C(=O)O)C2=NNN=N2 |
| InChIKey | VWQZJJZGISNFOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿西他诺司 (CAS 114607-46-4), with molecular formula C9H7N5O3 and molecular weight 233.05 g/mol. IUPAC: 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid.
Chemical Property Profile of 阿西他诺司
Property Insights of 阿西他诺司
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿西他诺司. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿西他诺司. Following Lipinski's Rule of Five, 阿西他诺司 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 阿西他诺司?
The CAS number of 阿西他诺司 is 114607-46-4.
What is the molecular formula of 阿西他诺司?
The molecular formula of 阿西他诺司 is C9H7N5O3.
What is the molecular weight of 阿西他诺司?
The molecular weight of 阿西他诺司 is 233.05 g/mol.
Where can I buy 阿西他诺司?
You can request a quote for 阿西他诺司 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿西他诺司?
Yes, KEHONG BIO provides custom synthesis services for 阿西他诺司 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.