4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid
TL;DR: 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid (CAS 896818-50-1) is a chemical compound with molecular formula C21H15ClN4O4S and molecular weight 454.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid, 4-[({[4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid, 4-[(2-{[4-(4-CHLOROPHENYL)-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)AMINO]BENZOIC ACID, 4-[[2-[[4-(4-chlorophenyl)-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic Acid, 4-[[2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
| Molecular Formula | C21H15ClN4O4S |
|---|---|
| Molecular Weight | 454.05 g/mol |
| LogP | 4.6097 |
| Topological Polar Surface Area | 110.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.05026 |
| Heavy Atoms | 31 |
| Complexity | 1205.4279 |
Chemical Identifiers
| CAS Number | 896818-50-1 |
|---|---|
| SMILES | C1=COC(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid (CAS 896818-50-1), with molecular formula C21H15ClN4O4S and molecular weight 454.05 g/mol. IUPAC: 4-[[2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid
Property Insights of 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid
The XLogP value of 4.6097 indicates that 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid. Following Lipinski's Rule of Five, 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid has 2 hydrogen bond donor(s) and 6 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-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid?
The CAS number of 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid is 896818-50-1.
What is the molecular formula of 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid?
The molecular formula of 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid is C21H15ClN4O4S.
What is the molecular weight of 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid?
The molecular weight of 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid is 454.05 g/mol.
Where can I buy 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid?
You can request a quote for 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)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-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((4-(4-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.