4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-
TL;DR: 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)- (CAS 89069-33-0) is a chemical compound with molecular formula C12H9F3N2OS and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one
Also Known As: 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-, 2-(Methylthio)-3-(3-(trifluoromethyl)phenyl)-4(3H)-pyrmidinone, 2-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one, 2-(methylsulfanyl)-3-[3-(trifluoromethyl)phenyl]pyrimidin-4(3H)-one, BRN 4507436
| Molecular Formula | C12H9F3N2OS |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.03876 |
| Heavy Atoms | 19 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 89069-33-0 |
|---|---|
| SMILES | CSC1=NC=CC(=O)N1C2=CC=CC(=C2)C(F)(F)F |
| InChIKey | WWSNDSZTLRXUJA-UHFFFAOYSA-N |
Product Overview
4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)- (CAS 89069-33-0), with molecular formula C12H9F3N2OS and molecular weight 286.04 g/mol. IUPAC: 2-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one.
Chemical Property Profile of 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-
Property Insights of 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-. With a topological polar surface area (TPSA) of 58.0 Ų, 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)- has 0 hydrogen bond donor(s) and 6 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 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-?
The CAS number of 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)- is 89069-33-0.
What is the molecular formula of 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-?
The molecular formula of 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)- is C12H9F3N2OS.
What is the molecular weight of 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-?
The molecular weight of 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)- is 286.04 g/mol.
Where can I buy 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-?
You can request a quote for 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.