3-Benzotriazol-1-yl-butyric acid
TL;DR: 3-Benzotriazol-1-yl-butyric acid (CAS 376646-64-9) is a chemical compound with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-yl)butanoic acid
Also Known As: 3-Benzotriazol-1-yl-butyric acid, Not Available, 3-(1H-1,2,3-Benzotriazol-1-yl)butanoic acid, 3-(benzotriazol-1-yl)butanoic acid, CBKinase1_000582
| Molecular Formula | C10H11N3O2 |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.08513 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 376646-64-9 |
|---|---|
| SMILES | CC(CC(=O)O)N1C2=CC=CC=C2N=N1 |
| InChIKey | FEKISXNJRGSDHP-UHFFFAOYSA-N |
Product Overview
3-Benzotriazol-1-yl-butyric acid (CAS 376646-64-9), with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol. IUPAC: 3-(benzotriazol-1-yl)butanoic acid.
Chemical Property Profile of 3-Benzotriazol-1-yl-butyric acid
Property Insights of 3-Benzotriazol-1-yl-butyric acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzotriazol-1-yl-butyric acid. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzotriazol-1-yl-butyric acid. Following Lipinski's Rule of Five, 3-Benzotriazol-1-yl-butyric 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 3-Benzotriazol-1-yl-butyric acid?
The CAS number of 3-Benzotriazol-1-yl-butyric acid is 376646-64-9.
What is the molecular formula of 3-Benzotriazol-1-yl-butyric acid?
The molecular formula of 3-Benzotriazol-1-yl-butyric acid is C10H11N3O2.
What is the molecular weight of 3-Benzotriazol-1-yl-butyric acid?
The molecular weight of 3-Benzotriazol-1-yl-butyric acid is 205.09 g/mol.
Where can I buy 3-Benzotriazol-1-yl-butyric acid?
You can request a quote for 3-Benzotriazol-1-yl-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzotriazol-1-yl-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzotriazol-1-yl-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.