2-phenyl-2H-1,2,3-triazole-4-carboxylic acid
TL;DR: 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid (CAS 133310-09-5) 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.
2-phenyltriazole-4-carboxylic acid
Also Known As: 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid, 2-phenyltriazole-4-carboxylic acid, 2h-1,2,3-triazole-4-carboxylic acid, 2-phenyl-, 2-phenyl-1,2,3-triazole-4-carboxylic acid, 2-phenyltriazole-4-carboxylate
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 | 1.8 |
| 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 | 216.0 |
| SMILES | C1=CC=C(C=C1)N2N=CC(=N2)C(=O)O |
| InChIKey | MXZFAZWAEXCZTR-UHFFFAOYSA-N |
Chemical Property Profile of 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid
Property Insights of 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid. Following Lipinski's Rule of Five, 2-phenyl-2H-1,2,3-triazole-4-carboxylic 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 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid is 133310-09-5.
What is the molecular formula of 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid is C9H7N3O2.
What is the molecular weight of 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid is 189.05383 g/mol.
Where can I buy 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-phenyl-2H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.