2-Benzotriazol-2-yl-propionic acid
TL;DR: 2-Benzotriazol-2-yl-propionic acid (CAS 62593-17-3) is a chemical compound with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-2-yl)propanoic acid
Also Known As: 2-Benzotriazol-2-yl-propionic acid, 2-(benzotriazol-2-yl)propanoic acid, 2-(2H-1,2,3-benzotriazol-2-yl)propanoic acid, 2-(2H-Benzo[d][1,2,3]triazol-2-yl)propanoic acid, BAS 03370390
| Molecular Formula | C9H9N3O2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.06947 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 62593-17-3 |
|---|---|
| SMILES | CC(C(=O)O)N1N=C2C=CC=CC2=N1 |
| InChIKey | VVFDXKZSXMHONU-UHFFFAOYSA-N |
Product Overview
2-Benzotriazol-2-yl-propionic acid (CAS 62593-17-3), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: 2-(benzotriazol-2-yl)propanoic acid.
Chemical Property Profile of 2-Benzotriazol-2-yl-propionic acid
Property Insights of 2-Benzotriazol-2-yl-propionic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzotriazol-2-yl-propionic acid. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzotriazol-2-yl-propionic acid. Following Lipinski's Rule of Five, 2-Benzotriazol-2-yl-propionic 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 2-Benzotriazol-2-yl-propionic acid?
The CAS number of 2-Benzotriazol-2-yl-propionic acid is 62593-17-3.
What is the molecular formula of 2-Benzotriazol-2-yl-propionic acid?
The molecular formula of 2-Benzotriazol-2-yl-propionic acid is C9H9N3O2.
What is the molecular weight of 2-Benzotriazol-2-yl-propionic acid?
The molecular weight of 2-Benzotriazol-2-yl-propionic acid is 191.07 g/mol.
Where can I buy 2-Benzotriazol-2-yl-propionic acid?
You can request a quote for 2-Benzotriazol-2-yl-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzotriazol-2-yl-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzotriazol-2-yl-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.