![4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid structure](/static/products/3466/346638-92-4.webp)
4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
TL;DR: 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid (CAS 346638-92-4) is a chemical compound with molecular formula C23H19N3O2S and molecular weight 401.1198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
Also Known As: TimTec1_004850, 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid, 4-(((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid, 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
Technical Specifications
| Molecular Formula | C23H19N3O2S |
| Molecular Weight | 401.1198 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.1198 Da |
| Heavy Atoms | 29 |
| Complexity | 514.0 |
| SMILES | C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)O |
| InChIKey | SJGACKHVCUMHHR-UHFFFAOYSA-N |
Chemical Property Profile of 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
Property Insights of 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
The XLogP value of 4.9 indicates that 4-{[(5-benzyl-4-phenyl-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 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid?
The CAS number of 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid is 346638-92-4.
What is the molecular formula of 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid?
The molecular formula of 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid is C23H19N3O2S.
What is the molecular weight of 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid?
The molecular weight of 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid is 401.1198 g/mol.
Where can I buy 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid?
You can request a quote for 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-{[(5-benzyl-4-phenyl-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.