![2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone structure](/static/products/866/866049-80-1.png)
2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
TL;DR: 2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 866049-80-1) is a chemical compound with molecular formula C14H11F3N2O2S and molecular weight 328.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one
Also Known As: 2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone, 2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one, 2-(2-oxopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one, 2-acetonylsulfanyl-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one
| Molecular Formula | C14H11F3N2O2S |
|---|---|
| Molecular Weight | 328.05 g/mol |
| LogP | 2.9324 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.04935 |
| Heavy Atoms | 22 |
| Complexity | 741.9885 |
Chemical Identifiers
| CAS Number | 866049-80-1 |
|---|---|
| SMILES | CC(=O)CSC1=NC(=CC(=O)N1C2=CC=CC=C2)C(F)(F)F |
Product Overview
2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 866049-80-1), with molecular formula C14H11F3N2O2S and molecular weight 328.05 g/mol. IUPAC: 2-(2-oxopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one.
Chemical Property Profile of 2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
Property Insights of 2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
The XLogP value of 2.9324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone. With a topological polar surface area (TPSA) of 51.96 Ų, 2-[(2-oxopropyl)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-oxopropyl)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-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The CAS number of 2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is 866049-80-1.
What is the molecular formula of 2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular formula of 2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is C14H11F3N2O2S.
What is the molecular weight of 2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular weight of 2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is 328.05 g/mol.
Where can I buy 2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
You can request a quote for 2-[(2-oxopropyl)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-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-oxopropyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.