Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
TL;DR: Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 134074-28-5) is a chemical compound with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, J3.218.859A, ethyl 4-methyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, 2-Thioxo-4-methyl-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester, 2-Thioxo-4-methyl-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
| Molecular Formula | C14H16N2O2S |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 1.827 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.09326 |
| Heavy Atoms | 19 |
| Complexity | 525.5073 |
Chemical Identifiers
| CAS Number | 134074-28-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C)C2=CC=CC=C2 |
Product Overview
Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 134074-28-5), with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol. IUPAC: ethyl 4-methyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Property Insights of Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
The XLogP value of 1.827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate. With a topological polar surface area (TPSA) of 50.36 Ų, Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-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
Frequently Asked Questions
What is the CAS number of Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The CAS number of Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 134074-28-5.
What is the molecular formula of Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is C14H16N2O2S.
What is the molecular weight of Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 276.09 g/mol.
Where can I buy Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methyl-6-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.