Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate
TL;DR: Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate (CAS 302936-83-0) is a chemical compound with molecular formula C19H16N2O3S and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate
Also Known As: AF-399/33696026, methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate, methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-thioxo-1,4,5,6-tetrahydro-5-pyrimidinecarboxylate, methyl 6-oxo-2-phenyl-4-thioxo-1-(p-tolyl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate, methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-thioxo-1,4,5,6-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C19H16N2O3S |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | 2.90502 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.08817 |
| Heavy Atoms | 25 |
| Complexity | 859.99774 |
Chemical Identifiers
| CAS Number | 302936-83-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C(C(=S)N=C2C3=CC=CC=C3)C(=O)OC |
Product Overview
Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate (CAS 302936-83-0), with molecular formula C19H16N2O3S and molecular weight 352.09 g/mol. IUPAC: methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate.
Chemical Property Profile of Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate
Property Insights of Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate
The XLogP value of 2.90502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate. With a topological polar surface area (TPSA) of 58.97 Ų, Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate has 0 hydrogen bond donor(s) and 4 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 Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate?
The CAS number of Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate is 302936-83-0.
What is the molecular formula of Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate?
The molecular formula of Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate is C19H16N2O3S.
What is the molecular weight of Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate?
The molecular weight of Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate is 352.09 g/mol.
Where can I buy Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate?
You can request a quote for Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(4-methylphenyl)-6-oxo-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.