Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate
TL;DR: Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate (CAS 89401-54-7) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 4-methyl-2-(pyridin-4-yl)thiazole-5-carboxylate, Ethyl 4-methyl-2-(4-pyridyl)thiazole-5-carboxylate, ethyl 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylate, Ethyl4-methyl-2-(pyridin-4-yl)thiazole-5-carboxylate, 4-Methyl-2-pyridin-4-yl-thiazole-5-carboxylic acid ethyl ester
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 89401-54-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)C2=CC=NC=C2)C |
| InChIKey | JPZUWDDVYNEJHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate (CAS 89401-54-7), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: ethyl 4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate
Property Insights of Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate has 0 hydrogen bond donor(s) and 5 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 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate?
The CAS number of Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate is 89401-54-7.
What is the molecular formula of Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate?
The molecular formula of Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate is C12H12N2O2S.
What is the molecular weight of Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate?
The molecular weight of Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate is 248.06 g/mol.
Where can I buy Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate?
You can request a quote for Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.