![4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid structure](/static/products/5855/585558-35-6.webp)
4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
TL;DR: 4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid (CAS 585558-35-6) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.0994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
Also Known As: 4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid, 4-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid, 4-(((4-amino-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid
Technical Specifications
| Molecular Formula | C17H16N4O2S |
| Molecular Weight | 340.0994 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.0994 Da |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(=O)O |
| InChIKey | GYUNMFKJRYJPNM-UHFFFAOYSA-N |
Chemical Property Profile of 4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
Property Insights of 4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
The XLogP value of 3.1 indicates that 4-({[4-amino-5-(3-methylphenyl)-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 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid. Following Lipinski's Rule of Five, 4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)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
What is the CAS number of 4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid?
The CAS number of 4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid is 585558-35-6.
What is the molecular formula of 4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid?
The molecular formula of 4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid is C17H16N4O2S.
What is the molecular weight of 4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid?
The molecular weight of 4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid is 340.0994 g/mol.
Where can I buy 4-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid?
You can request a quote for 4-({[4-amino-5-(3-methylphenyl)-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-({[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-({[4-amino-5-(3-methylphenyl)-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.