1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide
TL;DR: 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide (CAS 891106-64-2) is a chemical compound with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide
Also Known As: 1-methyl-N-(4-methylphenyl)-6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxamide, 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide, 1-methyl-6-oxo-2-((2-oxo-2-phenylethyl)thio)-N-(p-tolyl)-1,6-dihydropyrimidine-5-carboxamide, N-p-tolyl-1-methyl-6-oxo-2-(phenacylthio)-1,6-dihydro-5-pyrimidinecarboxamide
| Molecular Formula | C21H19N3O3S |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 3.31602 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.11472 |
| Heavy Atoms | 28 |
| Complexity | 1060.5039 |
Chemical Identifiers
| CAS Number | 891106-64-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C2=CN=C(N(C2=O)C)SCC(=O)C3=CC=CC=C3 |
Product Overview
1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide (CAS 891106-64-2), with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol. IUPAC: 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide.
Chemical Property Profile of 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide
Property Insights of 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide
The XLogP value of 3.31602 indicates that 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide. Following Lipinski's Rule of Five, 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide 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
Frequently Asked Questions
What is the CAS number of 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide?
The CAS number of 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide is 891106-64-2.
What is the molecular formula of 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide?
The molecular formula of 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide is C21H19N3O3S.
What is the molecular weight of 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide?
The molecular weight of 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide is 393.11 g/mol.
Where can I buy 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide?
You can request a quote for 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-N-(4-methylphenyl)-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.