Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate
TL;DR: Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate (CAS 127919-27-1) is a chemical compound with molecular formula C11H8BrNO2S and molecular weight 296.94592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate
Also Known As: Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate, 4-Thiazolecarboxylic acid, 2-bromo-5-phenyl-, methyl ester, methyl 2-bromo-5-phenyl-4thiazolecarboxylate, methyl 2-bromo-5-phenyl-4-thiazolecarboxylate, 2-bromo-5-phenyl-thiazole-4-carboxylic acid methyl ester
Technical Specifications
| Molecular Formula | C11H8BrNO2S |
| Molecular Weight | 296.94592 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.94592 Da |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
| SMILES | COC(=O)C1=C(SC(=N1)Br)C2=CC=CC=C2 |
| InChIKey | UQENVOAJIRWFAI-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate
Property Insights of Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate
The XLogP value of 3.8 indicates that Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate?
The CAS number of Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate is 127919-27-1.
What is the molecular formula of Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate?
The molecular formula of Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate is C11H8BrNO2S.
What is the molecular weight of Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate?
The molecular weight of Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate is 296.94592 g/mol.
Where can I buy Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate?
You can request a quote for Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-bromo-5-phenyl-1,3-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.