ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
TL;DR: ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 144460-03-7) is a chemical compound with molecular formula C17H22N2O4S and molecular weight 350.13004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-(3,4-dimethoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, AF-399/40828087, ethyl 6-(3,4-dimethoxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate, F0497-0199, ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Technical Specifications
| Molecular Formula | C17H22N2O4S |
| Molecular Weight | 350.13004 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 92.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.13004 Da |
| Heavy Atoms | 24 |
| Complexity | 523.0 |
| SMILES | CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2)OC)OC)C)C |
| InChIKey | WYOMTZJUOAMWGI-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Property Insights of ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 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 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The CAS number of ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 144460-03-7.
What is the molecular formula of ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular formula of ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is C17H22N2O4S.
What is the molecular weight of ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular weight of ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 350.13004 g/mol.
Where can I buy ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
You can request a quote for ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-(3,4-dimethoxyphenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.