Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate
TL;DR: Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate (CAS 15911-31-6) is a chemical compound with molecular formula C13H12N2O4S and molecular weight 292.0518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-methyl-2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate, 2G-404S, ethyl 4-methyl-2-(4-nitrophenyl)-1,3-thiazole-5-carboxylate, Ethyl4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate, Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate, AldrichCPR
Technical Specifications
| Molecular Formula | C13H12N2O4S |
| Molecular Weight | 292.0518 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.0518 Da |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
| SMILES | CCOC(=O)C1=C(N=C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | YRVCNCOSVJJZKK-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate
Property Insights of Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate
The XLogP value of 3.4 indicates that Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-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
What is the CAS number of Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate?
The CAS number of Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate is 15911-31-6.
What is the molecular formula of Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate?
The molecular formula of Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate is C13H12N2O4S.
What is the molecular weight of Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate?
The molecular weight of Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate is 292.0518 g/mol.
Where can I buy Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate?
You can request a quote for Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-methyl-2-(4-nitrophenyl)thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.