Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate
TL;DR: Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate (CAS 15400-46-1) is a chemical compound with molecular formula C14H14N2O3S and molecular weight 290.0725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate
Also Known As: ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate, Ethyl 2-(methylthio)-4-phenoxypyrimidine-5-carboxylate, ethyl 2-(methylsulfanyl)-4-phenoxypyrimidine-5-carboxylate, ethyl 2-methylsulfanyl-4-phenoxy-pyrimidine-5-carboxylate, 5-PYRIMIDINECARBOXYLICACID, 2-(METHYLTHIO)-4-PHENOXY-, ETHYL ESTER
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H14N2O3S |
| Molecular Weight | 290.0725 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 86.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.0725 Da |
| Heavy Atoms | 20 |
| Complexity | 311.0 |
| SMILES | CCOC(=O)C1=CN=C(N=C1OC2=CC=CC=C2)SC |
| InChIKey | JXSLAQFMYYLPDL-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate
Property Insights of Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate
The XLogP value of 3.1 indicates that Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-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 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate?
The CAS number of Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate is 15400-46-1.
What is the molecular formula of Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate?
The molecular formula of Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate is C14H14N2O3S.
What is the molecular weight of Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate?
The molecular weight of Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate is 290.0725 g/mol.
Where can I buy Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate?
You can request a quote for Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-methylsulfanyl-4-phenoxypyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.