Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate
TL;DR: Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate (CAS 106748-15-6) is a chemical compound with molecular formula C11H11ClN4O2 and molecular weight 266.05707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-amino-1-(2-chlorophenyl)triazole-4-carboxylate
Also Known As: ethyl 5-amino-1-(2-chlorophenyl)triazole-4-carboxylate, 5-AMINO-1-(2-CHLOROPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, 1H-1,2,3-Triazole-4-carboxylicacid, 5-amino-1-(2-chlorophenyl)-, ethyl ester, Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate, 5-Amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylicacid ethyl ester
Technical Specifications
| Molecular Formula | C11H11ClN4O2 |
| Molecular Weight | 266.05707 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.05707 Da |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
| SMILES | CCOC(=O)C1=C(N(N=N1)C2=CC=CC=C2Cl)N |
| InChIKey | KXASQYQXOXEKNX-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate
Property Insights of Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate 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 Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate?
The CAS number of Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate is 106748-15-6.
What is the molecular formula of Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate is C11H11ClN4O2.
What is the molecular weight of Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate is 266.05707 g/mol.
Where can I buy Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-amino-1-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.