5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid
TL;DR: 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 104055-80-3) is a chemical compound with molecular formula C9H8N4O2 and molecular weight 204.06473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-1-phenyltriazole-4-carboxylic acid
Also Known As: 3',5'-Diprenylgenistein, 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid, TOS-BB-0806, 5-amino-1-phenyltriazole-4-carboxylic acid, 5-amino-1-phenyl-triazole-4-carboxylic acid
Technical Specifications
| Molecular Formula | C9H8N4O2 |
| Molecular Weight | 204.06473 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.06473 Da |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
| SMILES | C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)O)N |
| InChIKey | RXJQVZQJLCDQOH-UHFFFAOYSA-N |
Chemical Property Profile of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid
Property Insights of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid. Following Lipinski's Rule of Five, 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid has 2 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 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid?
The CAS number of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid is 104055-80-3.
What is the molecular formula of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid?
The molecular formula of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid is C9H8N4O2.
What is the molecular weight of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid?
The molecular weight of 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid is 204.06473 g/mol.
Where can I buy 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid?
You can request a quote for 5-amino-1-phenyl-1H-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 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.