1,2,4-Benzotriazine-3-acetic acid
TL;DR: 1,2,4-Benzotriazine-3-acetic acid (CAS 77475-33-3) is a chemical compound with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,4-benzotriazin-3-yl)acetic acid
Also Known As: 1,2,4-Benzotriazine-3-acetic acid, 1,2,4-Benzotriazine-3-aceticacid, 2-(1,2,4-benzotriazin-3-yl)acetic acid, 2-(benzo[e][1,2,4]triazin-3-yl)acetic acid, (1,2,4-Benzotriazin-3-yl)acetic acid
| Molecular Formula | C9H7N3O2 |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.05383 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 77475-33-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N=N2)CC(=O)O |
| InChIKey | BFLNXWWHKYAJCP-UHFFFAOYSA-N |
Product Overview
1,2,4-Benzotriazine-3-acetic acid (CAS 77475-33-3), with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol. IUPAC: 2-(1,2,4-benzotriazin-3-yl)acetic acid.
Chemical Property Profile of 1,2,4-Benzotriazine-3-acetic acid
Property Insights of 1,2,4-Benzotriazine-3-acetic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Benzotriazine-3-acetic acid. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Benzotriazine-3-acetic acid. Following Lipinski's Rule of Five, 1,2,4-Benzotriazine-3-acetic acid has 1 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?
The CAS number of 1,2,4-Benzotriazine-3-acetic acid is 77475-33-3.
What is the molecular formula of 1,2,4-Benzotriazine-3-acetic acid?
The molecular formula of 1,2,4-Benzotriazine-3-acetic acid is C9H7N3O2.
What is the molecular weight of 1,2,4-Benzotriazine-3-acetic acid?
The molecular weight of 1,2,4-Benzotriazine-3-acetic acid is 189.05 g/mol.
Where can I buy 1,2,4-Benzotriazine-3-acetic acid?
You can request a quote for 1,2,4-Benzotriazine-3-acetic acid 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?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzotriazine-3-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.