Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester
TL;DR: Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester (CAS 116632-73-6) is a chemical compound with molecular formula C11H12N4O2 and molecular weight 232.09602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-amino-3-phenyltriazole-4-carboxylate
Also Known As: ethyl 5-amino-3-phenyltriazole-4-carboxylate, ethyl 4-amino-1-phenyl-1H-1,2,3-triazole-5-carboxylate, Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester
Technical Specifications
| Molecular Formula | C11H12N4O2 |
| Molecular Weight | 232.09602 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.09602 Da |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
| SMILES | CCOC(=O)C1=C(N=NN1C2=CC=CC=C2)N |
| InChIKey | KYWFKGSZLZLJKF-UHFFFAOYSA-N |
Chemical Property Profile of Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester
Property Insights of Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester. Following Lipinski's Rule of Five, Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester 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 Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester?
The CAS number of Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester is 116632-73-6.
What is the molecular formula of Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester?
The molecular formula of Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester is C11H12N4O2.
What is the molecular weight of Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester?
The molecular weight of Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester is 232.09602 g/mol.
Where can I buy Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester?
You can request a quote for Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Triazole-4-carboxylic acid, 3h-1,2,3-, 5-amino-3-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.