![2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone structure](/static/products/6922/692287-52-8.webp)
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
TL;DR: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 692287-52-8) is a chemical compound with molecular formula C19H12BrF3N2O2S and molecular weight 467.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one
Also Known As: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone, 6T-0276, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one, 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one
| Molecular Formula | C19H12BrF3N2O2S |
|---|---|
| Molecular Weight | 467.98 g/mol |
| LogP | 4.9888 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.9755 |
| Heavy Atoms | 28 |
| Complexity | 1051.5142 |
Chemical Identifiers
| CAS Number | 692287-52-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C=C(N=C2SCC(=O)C3=CC=C(C=C3)Br)C(F)(F)F |
Product Overview
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 692287-52-8), with molecular formula C19H12BrF3N2O2S and molecular weight 467.98 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one.
Chemical Property Profile of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
Property Insights of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
The XLogP value of 4.9888 indicates that 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone 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 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The CAS number of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is 692287-52-8.
What is the molecular formula of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular formula of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is C19H12BrF3N2O2S.
What is the molecular weight of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular weight of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is 467.98 g/mol.
Where can I buy 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
You can request a quote for 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone 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-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.