![3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid structure](/static/products/319/319489-33-3.png)
3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid
TL;DR: 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid (CAS 319489-33-3) is a chemical compound with molecular formula C14H11ClN4O2 and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-ylmethylamino)-4-chlorobenzoic acid
Also Known As: 3-(benzotriazol-1-ylmethylamino)-4-chlorobenzoic acid, 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid, 3-[(benzotriazolylmethyl)amino]-4-chlorobenzoic acid, 3-(benzotriazol-1-ylmethylamino)-4-chloro-benzoic Acid, 3-[(1,2,3-BENZOTRIAZOL-1-YLMETHYL)AMINO]-4-CHLOROBENZOIC ACID
| Molecular Formula | C14H11ClN4O2 |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | 2.8525 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.05707 |
| Heavy Atoms | 21 |
| Complexity | 815.5942 |
Chemical Identifiers
| CAS Number | 319489-33-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CNC3=C(C=CC(=C3)C(=O)O)Cl |
Product Overview
3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid (CAS 319489-33-3), with molecular formula C14H11ClN4O2 and molecular weight 302.06 g/mol. IUPAC: 3-(benzotriazol-1-ylmethylamino)-4-chlorobenzoic acid.
Chemical Property Profile of 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid
Property Insights of 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid
The XLogP value of 2.8525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid. The TPSA of 80.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid. Following Lipinski's Rule of Five, 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic 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]-4-chlorobenzoic acid?
The CAS number of 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid is 319489-33-3.
What is the molecular formula of 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid?
The molecular formula of 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid is C14H11ClN4O2.
What is the molecular weight of 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid?
The molecular weight of 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid is 302.06 g/mol.
Where can I buy 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid?
You can request a quote for 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic 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]-4-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1H-benzotriazol-1-ylmethyl)amino]-4-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.