![3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid structure](/static/products/6200/62001-42-7.webp)
3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid
TL;DR: 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid (CAS 62001-42-7) is a chemical compound with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-ylmethylamino)benzoic acid
Also Known As: 3-(benzotriazol-1-ylmethylamino)benzoic acid, BAS 00263167, 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid, 3-{[(1H-1,2,3-benzotriazol-1-yl)methyl]amino}benzoic acid, 3-[(benzotriazolylmethyl)amino]benzoic acid
| Molecular Formula | C14H12N4O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 2.1991 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.09604 |
| Heavy Atoms | 20 |
| Complexity | 766.4647 |
Chemical Identifiers
| CAS Number | 62001-42-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CNC3=CC=CC(=C3)C(=O)O |
Product Overview
3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid (CAS 62001-42-7), with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol. IUPAC: 3-(benzotriazol-1-ylmethylamino)benzoic acid.
Chemical Property Profile of 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid
Property Insights of 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid
The XLogP value of 2.1991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid. The TPSA of 80.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid has 2 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-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid?
The CAS number of 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid is 62001-42-7.
What is the molecular formula of 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid?
The molecular formula of 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid is C14H12N4O2.
What is the molecular weight of 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid?
The molecular weight of 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid is 268.10 g/mol.
Where can I buy 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid?
You can request a quote for 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1H-benzotriazol-1-ylmethyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.