![2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide structure](/static/products/891/891099-98-2.png)
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide
TL;DR: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide (CAS 891099-98-2) 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.
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide
Also Known As: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide, 2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-1-methyl-6-oxo-N-phenyl-1,6-dihydropyrimidine-5-carboxamide, 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1-methyl-6-oxo-N-phenyl-1,6-dihydropyrimidine-5-carboxamide, N-phenyl-2-[(p-fluorobenzoyl)methylthio]-1-methyl-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
| 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 | 891099-98-2 |
|---|---|
| SMILES | CN1C(=O)C(=CN=C1SCC(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3 |
Product Overview
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide (CAS 891099-98-2), with molecular formula C20H16FN3O3S and molecular weight 397.09 g/mol. IUPAC: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide.
Chemical Property Profile of 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide
Property Insights of 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide
The XLogP value of 3.1467 indicates that 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-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 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide. Following Lipinski's Rule of Five, 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-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 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide?
The CAS number of 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide is 891099-98-2.
What is the molecular formula of 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide?
The molecular formula of 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide is C20H16FN3O3S.
What is the molecular weight of 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide?
The molecular weight of 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide is 397.09 g/mol.
Where can I buy 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide?
You can request a quote for 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1-methyl-6-oxo-N-phenylpyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.