Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
TL;DR: Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate (CAS 133902-67-7) 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 1-(4-nitrophenyl)triazole-4-carboxylate
Also Known As: 2-Oxetanone,3-(chloromethyl)-3-methyl, ethyl 1-(4-nitrophenyl)triazole-4-carboxylate, 1-(p-nitrophenyl)-4-ethoxycarbonyl-1,2,3-triazole, Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate, ethyl 1-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate
| Molecular Formula | C11H10N4O4 |
|---|---|
| Molecular Weight | 262.07 g/mol |
| LogP | 1.3522 |
| Topological Polar Surface Area | 100.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0702 |
| Heavy Atoms | 19 |
| Complexity | 605.41266 |
Chemical Identifiers
| CAS Number | 133902-67-7 |
|---|---|
| SMILES | CCOC(=O)C1=CN(N=N1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate (CAS 133902-67-7), with molecular formula C11H10N4O4 and molecular weight 262.07 g/mol. IUPAC: ethyl 1-(4-nitrophenyl)triazole-4-carboxylate.
Chemical Property Profile of Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
Property Insights of Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 1.3522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate. The TPSA of 100.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate has 0 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 Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate?
The CAS number of Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate is 133902-67-7.
What is the molecular formula of Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate is C11H10N4O4.
What is the molecular weight of Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate is 262.07 g/mol.
Where can I buy Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.