ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate
TL;DR: ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate (CAS 132624-54-5) is a chemical compound with molecular formula C16H19N3O2S and molecular weight 317.1198 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate
Technical Specifications
| Molecular Formula | C16H19N3O2S |
| Molecular Weight | 317.1198 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 80.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.1198 Da |
| Heavy Atoms | 22 |
| Complexity | 350.0 |
| SMILES | CCN(C1=CC=CC=C1)C2=NC(=NC=C2C(=O)OCC)SC |
| InChIKey | NDEPZFVNEUKMAX-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate
Property Insights of ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate
The XLogP value of 3.6 indicates that ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-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-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate?
The CAS number of ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate is 132624-54-5.
What is the molecular formula of ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate?
The molecular formula of ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate is C16H19N3O2S.
What is the molecular weight of ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate?
The molecular weight of ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate is 317.1198 g/mol.
Where can I buy ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate?
You can request a quote for ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-(N-ethylanilino)-2-methylsulfanylpyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.