5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
TL;DR: 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester (CAS 35307-27-8) is a chemical compound with molecular formula C11H10N4O4 and molecular weight 262.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-nitrophenyl)-2H-triazole-4-carboxylate
Also Known As: ethyl 5-(4-nitrophenyl)triazolidine-4-carboxylate, Ethyl 5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 5-(4-nitrophenyl)-2H-triazole-4-carboxylate, 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester, Ethyl 5-(4-nitrophenyl)-1,2,3-triazolidine-4-carboxylate
| Molecular Formula | C11H10N4O4 |
|---|---|
| Molecular Weight | 262.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0702 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 35307-27-8 |
|---|---|
| SMILES | CCOC(=O)C1=NNN=C1C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | WCZKKQZFTGSWNM-UHFFFAOYSA-N |
Product Overview
5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester (CAS 35307-27-8), with molecular formula C11H10N4O4 and molecular weight 262.07 g/mol. IUPAC: ethyl 5-(4-nitrophenyl)-2H-triazole-4-carboxylate.
Chemical Property Profile of 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
Property Insights of 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester?
The CAS number of 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester is 35307-27-8.
What is the molecular formula of 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester?
The molecular formula of 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester is C11H10N4O4.
What is the molecular weight of 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester?
The molecular weight of 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester is 262.07 g/mol.
Where can I buy 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester?
You can request a quote for 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.