4-(1H-1,2,4-Triazol-1-yl)benzoic acid
TL;DR: 4-(1H-1,2,4-Triazol-1-yl)benzoic acid (CAS 162848-16-0) is a chemical compound with molecular formula C9H7N3O2 and molecular weight 189.05383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,2,4-triazol-1-yl)benzoic acid
Also Known As: 4-(1H-1,2,4-Triazol-1-yl)benzoic Acid, 4-[1,2,4]Triazol-1-yl-benzoic acid, 4-(1,2,4-triazol-1-yl)benzoic acid, rarechem al be 1325, buttpark 9550-80
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.05383 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.05383 Da |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
| SMILES | C1=CC(=CC=C1C(=O)O)N2C=NC=N2 |
| InChIKey | FOMQQGKCPYKKHQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1H-1,2,4-Triazol-1-yl)benzoic acid
Property Insights of 4-(1H-1,2,4-Triazol-1-yl)benzoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-1,2,4-Triazol-1-yl)benzoic acid. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-1,2,4-Triazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(1H-1,2,4-Triazol-1-yl)benzoic acid has 1 hydrogen bond donor(s) and 4 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-(1H-1,2,4-Triazol-1-yl)benzoic acid?
The CAS number of 4-(1H-1,2,4-Triazol-1-yl)benzoic acid is 162848-16-0.
What is the molecular formula of 4-(1H-1,2,4-Triazol-1-yl)benzoic acid?
The molecular formula of 4-(1H-1,2,4-Triazol-1-yl)benzoic acid is C9H7N3O2.
What is the molecular weight of 4-(1H-1,2,4-Triazol-1-yl)benzoic acid?
The molecular weight of 4-(1H-1,2,4-Triazol-1-yl)benzoic acid is 189.05383 g/mol.
Where can I buy 4-(1H-1,2,4-Triazol-1-yl)benzoic acid?
You can request a quote for 4-(1H-1,2,4-Triazol-1-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1H-1,2,4-Triazol-1-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(1H-1,2,4-Triazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.