![4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid structure](/static/products/6785/678543-45-8.webp)
4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
TL;DR: 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid (CAS 678543-45-8) is a chemical compound with molecular formula C16H13ClN4O2S and molecular weight 360.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
Also Known As: 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid, 4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid, 4-(((4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid
| Molecular Formula | C16H13ClN4O2S |
|---|---|
| Molecular Weight | 360.04 g/mol |
| LogP | 3.3028 |
| Topological Polar Surface Area | 94.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.04477 |
| Heavy Atoms | 24 |
| Complexity | 880.0389 |
Chemical Identifiers
| CAS Number | 678543-45-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)O)Cl |
Product Overview
4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid (CAS 678543-45-8), with molecular formula C16H13ClN4O2S and molecular weight 360.04 g/mol. IUPAC: 4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
Property Insights of 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
The XLogP value of 3.3028 indicates that 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid. Following Lipinski's Rule of Five, 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid has 2 hydrogen bond donor(s) and 5 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 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid?
The CAS number of 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid is 678543-45-8.
What is the molecular formula of 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid?
The molecular formula of 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid is C16H13ClN4O2S.
What is the molecular weight of 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid?
The molecular weight of 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid is 360.04 g/mol.
Where can I buy 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid?
You can request a quote for 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[4-amino-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.