benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
TL;DR: benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 1164481-92-8) is a chemical compound with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-methyl-4-[(E)-2-phenylethenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, benzyl 6-methyl-4-[(E)-2-phenylethenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, (E)-benzyl 6-methyl-4-styryl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, benzyl 6-methyl-4-[(E)-2-phenylethenyl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C21H20N2O2S |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 3.5635 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.12454 |
| Heavy Atoms | 26 |
| Complexity | 844.8295 |
Chemical Identifiers
| CAS Number | 1164481-92-8 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)/C=C/C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 |
Product Overview
benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 1164481-92-8), with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol. IUPAC: benzyl 6-methyl-4-[(E)-2-phenylethenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Property Insights of benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
The XLogP value of 3.5635 indicates that benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, benzyl 6-methyl-4-(2-phenylvinyl)-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, benzyl 6-methyl-4-(2-phenylvinyl)-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 benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The CAS number of benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 1164481-92-8.
What is the molecular formula of benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular formula of benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is C21H20N2O2S.
What is the molecular weight of benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular weight of benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 364.12 g/mol.
Where can I buy benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
You can request a quote for benzyl 6-methyl-4-(2-phenylvinyl)-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 benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 6-methyl-4-(2-phenylvinyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.