2H-Benzotriazole-2-butanoic acid
TL;DR: 2H-Benzotriazole-2-butanoic acid (CAS 4144-70-1) 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.
4-(benzotriazol-2-yl)butanoic acid
Also Known As: 2H-Benzotriazole-2-butanoic acid, 4-(2H-benzo[d][1,2,3]triazol-2-yl)butanoic acid, 4-(benzotriazol-2-yl)butanoic acid, 4-benzotriazol-2-ylbutanoic Acid, 4-(2H-Benzotriazol-2-yl)butanoic acid
| Molecular Formula | C10H11N3O2 |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 1.2961 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.08513 |
| Heavy Atoms | 15 |
| Complexity | 445.22717 |
Chemical Identifiers
| CAS Number | 4144-70-1 |
|---|---|
| SMILES | C1=CC2=NN(N=C2C=C1)CCCC(=O)O |
Product Overview
2H-Benzotriazole-2-butanoic acid (CAS 4144-70-1), with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol. IUPAC: 4-(benzotriazol-2-yl)butanoic acid.
Chemical Property Profile of 2H-Benzotriazole-2-butanoic acid
Property Insights of 2H-Benzotriazole-2-butanoic acid
The XLogP value of 1.2961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Benzotriazole-2-butanoic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Benzotriazole-2-butanoic acid. Following Lipinski's Rule of Five, 2H-Benzotriazole-2-butanoic 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 2H-Benzotriazole-2-butanoic acid?
The CAS number of 2H-Benzotriazole-2-butanoic acid is 4144-70-1.
What is the molecular formula of 2H-Benzotriazole-2-butanoic acid?
The molecular formula of 2H-Benzotriazole-2-butanoic acid is C10H11N3O2.
What is the molecular weight of 2H-Benzotriazole-2-butanoic acid?
The molecular weight of 2H-Benzotriazole-2-butanoic acid is 205.09 g/mol.
Where can I buy 2H-Benzotriazole-2-butanoic acid?
You can request a quote for 2H-Benzotriazole-2-butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Benzotriazole-2-butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2H-Benzotriazole-2-butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.