ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate
TL;DR: ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate (CAS 861208-40-4) is a chemical compound with molecular formula C12H11ClN4O4 and molecular weight 310.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
Also Known As: 2H-328S, ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate, ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1,2,4-triazole-3-carboxylate, ethyl1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate
| Molecular Formula | C12H11ClN4O4 |
|---|---|
| Molecular Weight | 310.05 g/mol |
| LogP | 2.31402 |
| Topological Polar Surface Area | 100.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.04688 |
| Heavy Atoms | 21 |
| Complexity | 713.27814 |
Chemical Identifiers
| CAS Number | 861208-40-4 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=N1)C)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate (CAS 861208-40-4), with molecular formula C12H11ClN4O4 and molecular weight 310.05 g/mol. IUPAC: ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1,2,4-triazole-3-carboxylate.
Chemical Property Profile of ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate
Property Insights of ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate
The XLogP value of 2.31402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate. The TPSA of 100.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-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-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate?
The CAS number of ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate is 861208-40-4.
What is the molecular formula of ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate?
The molecular formula of ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate is C12H11ClN4O4.
What is the molecular weight of ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate?
The molecular weight of ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate is 310.05 g/mol.
Where can I buy ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate?
You can request a quote for ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-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-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(4-chloro-2-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.