1,2,4-Benzotriazine-3-acetic acid, ethyl ester
TL;DR: 1,2,4-Benzotriazine-3-acetic acid, ethyl ester (CAS 77475-32-2) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,2,4-benzotriazin-3-yl)acetate
Also Known As: Ethyl 1,2,4-benzotriazine-3-acetate, Ethyl1,2,4-benzotriazine-3-acetate, 1,2,4-BENZOTRIAZINE-3-ACETIC ACID, ETHYL ESTER, ethyl 2-(1,2,4-benzotriazin-3-yl)acetate, ethyl 2-(benzo[e][1,2,4]triazin-3-yl)acetate
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 77475-32-2 |
|---|---|
| SMILES | CCOC(=O)CC1=NC2=CC=CC=C2N=N1 |
| InChIKey | MWAVYFFYPQEWLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Benzotriazine-3-acetic acid, ethyl ester (CAS 77475-32-2), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: ethyl 2-(1,2,4-benzotriazin-3-yl)acetate.
Chemical Property Profile of 1,2,4-Benzotriazine-3-acetic acid, ethyl ester
Property Insights of 1,2,4-Benzotriazine-3-acetic acid, ethyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Benzotriazine-3-acetic acid, ethyl ester. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Benzotriazine-3-acetic acid, ethyl ester. Following Lipinski's Rule of Five, 1,2,4-Benzotriazine-3-acetic acid, ethyl ester has 0 hydrogen bond donor(s) and 5 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 1,2,4-Benzotriazine-3-acetic acid, ethyl ester?
The CAS number of 1,2,4-Benzotriazine-3-acetic acid, ethyl ester is 77475-32-2.
What is the molecular formula of 1,2,4-Benzotriazine-3-acetic acid, ethyl ester?
The molecular formula of 1,2,4-Benzotriazine-3-acetic acid, ethyl ester is C11H11N3O2.
What is the molecular weight of 1,2,4-Benzotriazine-3-acetic acid, ethyl ester?
The molecular weight of 1,2,4-Benzotriazine-3-acetic acid, ethyl ester is 217.09 g/mol.
Where can I buy 1,2,4-Benzotriazine-3-acetic acid, ethyl ester?
You can request a quote for 1,2,4-Benzotriazine-3-acetic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Benzotriazine-3-acetic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzotriazine-3-acetic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.