N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide
TL;DR: N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide (CAS 891101-96-5) is a chemical compound with molecular formula C20H16FN3O3S and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide
Also Known As: AB00678415-01, F2501-0178, N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide, N-(4-fluorophenyl)-1-methyl-6-oxo-2-((2-oxo-2-phenylethyl)thio)-1,6-dihydropyrimidine-5-carboxamide, N-(4-fluorophenyl)-1-methyl-6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxamide
| Molecular Formula | C20H16FN3O3S |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 3.1467 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.08963 |
| Heavy Atoms | 28 |
| Complexity | 1066.3041 |
Chemical Identifiers
| CAS Number | 891101-96-5 |
|---|---|
| SMILES | CN1C(=O)C(=CN=C1SCC(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F |
Product Overview
N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide (CAS 891101-96-5), with molecular formula C20H16FN3O3S and molecular weight 397.09 g/mol. IUPAC: N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide.
Chemical Property Profile of N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide
Property Insights of N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide
The XLogP value of 3.1467 indicates that N-(4-fluorophenyl)-1-methyl-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 N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-1-methyl-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 N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide?
The CAS number of N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide is 891101-96-5.
What is the molecular formula of N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide?
The molecular formula of N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide is C20H16FN3O3S.
What is the molecular weight of N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide?
The molecular weight of N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide is 397.09 g/mol.
Where can I buy N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide?
You can request a quote for N-(4-fluorophenyl)-1-methyl-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 N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorophenyl)-1-methyl-6-oxo-2-phenacylsulfanylpyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.