![Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate structure](/static/products/1081/108123-25-7.webp)
Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate
TL;DR: Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate (CAS 108123-25-7) is a chemical compound with molecular formula C15H17N3O3S and molecular weight 319.09906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(4-methoxyanilino)-2-methylsulfanylpyrimidine-5-carboxylate
Also Known As: Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate, ethyl 4-(4-methoxyanilino)-2-methylsulfanylpyrimidine-5-carboxylate, Ethyl 4-(4-methoxyanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate, ethyl 4-[(4-methoxyphenyl)amino]-2-methylthiopyrimidine-5-carboxylate
Technical Specifications
| Molecular Formula | C15H17N3O3S |
| Molecular Weight | 319.09906 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 98.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.09906 Da |
| Heavy Atoms | 22 |
| Complexity | 351.0 |
| SMILES | CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC)SC |
| InChIKey | HYWKNVJGIGCQKX-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate
Property Insights of Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate
The XLogP value of 3.7 indicates that Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate has 1 hydrogen bond donor(s) and 7 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-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate?
The CAS number of Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate is 108123-25-7.
What is the molecular formula of Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate is C15H17N3O3S.
What is the molecular weight of Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate is 319.09906 g/mol.
Where can I buy Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-[(4-methoxyphenyl)amino]-2-(methylthio)-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.