2H-1,2,3-Benzotriazol-2-Ylacetic Acid
TL;DR: 2H-1,2,3-Benzotriazol-2-Ylacetic Acid (CAS 4144-68-7) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-2-yl)acetic acid
Also Known As: Benzotriazol-2-yl-acetic acid, 2-carboxymethyl-2h-benzotriazole, 1,2,3-benzotriazol-2-ylacetic acid, 2H-1,2,3-BENZOTRIAZOL-2-YLACETIC ACID, 2-(benzotriazol-2-yl)acetic acid
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 4144-68-7 |
|---|---|
| SMILES | C1=CC2=NN(N=C2C=C1)CC(=O)O |
| InChIKey | DQVKBZMURLITOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1,2,3-Benzotriazol-2-Ylacetic Acid (CAS 4144-68-7), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 2-(benzotriazol-2-yl)acetic acid.
Chemical Property Profile of 2H-1,2,3-Benzotriazol-2-Ylacetic Acid
Property Insights of 2H-1,2,3-Benzotriazol-2-Ylacetic Acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,2,3-Benzotriazol-2-Ylacetic Acid. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,2,3-Benzotriazol-2-Ylacetic Acid. Following Lipinski's Rule of Five, 2H-1,2,3-Benzotriazol-2-Ylacetic Acid has 1 hydrogen bond donor(s) and 4 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 2H-1,2,3-Benzotriazol-2-Ylacetic Acid?
The CAS number of 2H-1,2,3-Benzotriazol-2-Ylacetic Acid is 4144-68-7.
What is the molecular formula of 2H-1,2,3-Benzotriazol-2-Ylacetic Acid?
The molecular formula of 2H-1,2,3-Benzotriazol-2-Ylacetic Acid is C8H7N3O2.
What is the molecular weight of 2H-1,2,3-Benzotriazol-2-Ylacetic Acid?
The molecular weight of 2H-1,2,3-Benzotriazol-2-Ylacetic Acid is 177.05 g/mol.
Where can I buy 2H-1,2,3-Benzotriazol-2-Ylacetic Acid?
You can request a quote for 2H-1,2,3-Benzotriazol-2-Ylacetic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,2,3-Benzotriazol-2-Ylacetic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,2,3-Benzotriazol-2-Ylacetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.