Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate
TL;DR: Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate (CAS 165682-94-0) is a chemical compound with molecular formula C13H13BrN2O2S and molecular weight 339.9881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate
Also Known As: ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate, Ethyl 2-[(2-bromo-4-methylphenyl)amino]-4-thiazolecarboxylate
Technical Specifications
| Molecular Formula | C13H13BrN2O2S |
| Molecular Weight | 339.9881 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 79.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.9881 Da |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
| SMILES | CCOC(=O)C1=CSC(=N1)NC2=C(C=C(C=C2)C)Br |
| InChIKey | ZZULYWOUJPCUQE-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate
Property Insights of Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate
The XLogP value of 4.4 indicates that Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate has 1 hydrogen bond donor(s) and 5 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 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate?
The CAS number of Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate is 165682-94-0.
What is the molecular formula of Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate?
The molecular formula of Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate is C13H13BrN2O2S.
What is the molecular weight of Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate?
The molecular weight of Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate is 339.9881 g/mol.
Where can I buy Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate?
You can request a quote for Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(2-bromo-4-methylanilino)-1,3-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.