Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate
TL;DR: Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate (CAS 154866-93-0) is a chemical compound with molecular formula C19H18N2O2S and molecular weight 338.1089 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BIM-0004978.P001, J2.467.017A, AB01320720-02, Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate, ethyl 4,6-diphenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Technical Specifications
| Molecular Formula | C19H18N2O2S |
| Molecular Weight | 338.1089 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.1089 Da |
| Heavy Atoms | 24 |
| Complexity | 505.0 |
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | IQEZQOIEZJJCDN-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate
Property Insights of Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate
The XLogP value of 3.2 indicates that Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate has 2 hydrogen bond donor(s) and 3 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 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate?
The CAS number of Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate is 154866-93-0.
What is the molecular formula of Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate is C19H18N2O2S.
What is the molecular weight of Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate is 338.1089 g/mol.
Where can I buy Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.