3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid
TL;DR: 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid (CAS 16583-99-6) 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.
3-(benzotriazol-2-yl)propanoic acid
Also Known As: 3-(benzotriazol-2-yl)propanoic acid, 2H-Benzotriazole-2-propanoic acid, 3-benzotriazol-2-ylpropanoic Acid, 3-(2H-1,2,3-BENZOTRIAZOL-2-YL)PROPANOIC ACID, 3-(2h-benzo[d][1,2,3]triazol-2-yl)propanoic acid
| Molecular Formula | C9H9N3O2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 0.906 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.06947 |
| Heavy Atoms | 14 |
| Complexity | 430.77994 |
Chemical Identifiers
| CAS Number | 16583-99-6 |
|---|---|
| SMILES | C1=CC2=NN(N=C2C=C1)CCC(=O)O |
Product Overview
3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid (CAS 16583-99-6), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: 3-(benzotriazol-2-yl)propanoic acid.
Chemical Property Profile of 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid
Property Insights of 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid
The XLogP value of 0.906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid. Following Lipinski's Rule of Five, 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid has 1 hydrogen bond donor(s) and 3 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 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid?
The CAS number of 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid is 16583-99-6.
What is the molecular formula of 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid?
The molecular formula of 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid is C9H9N3O2.
What is the molecular weight of 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid?
The molecular weight of 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid is 191.07 g/mol.
Where can I buy 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid?
You can request a quote for 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2H-1,2,3-Benzotriazol-2-YL)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.