Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate
TL;DR: Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate (CAS 82989-25-1) is a chemical compound with molecular formula C13H15N5O3 and molecular weight 289.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate
Also Known As: tazanolast, Tazanol, Tazanolastum, Tazalest, Tazanolast [INN:JAN]
| Molecular Formula | C13H15N5O3 |
|---|---|
| Molecular Weight | 289.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.1175 |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 82989-25-1 |
|---|---|
| SMILES | CCCCOC(=O)C(=O)NC1=CC=CC(=C1)C2=NNN=N2 |
| InChIKey | XQTARQNQIVVBRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate (CAS 82989-25-1), with molecular formula C13H15N5O3 and molecular weight 289.12 g/mol. IUPAC: butyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate.
Chemical Property Profile of Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate
Property Insights of Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate. Following Lipinski's Rule of Five, Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate 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 Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate?
The CAS number of Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate is 82989-25-1.
What is the molecular formula of Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate?
The molecular formula of Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate is C13H15N5O3.
What is the molecular weight of Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate?
The molecular weight of Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate is 289.12 g/mol.
Where can I buy Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate?
You can request a quote for Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-oxo-2-((3-(2H-tetrazol-5-yl)phenyl)amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.