2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
TL;DR: 2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 685107-82-8) is a chemical compound with molecular formula C14H13F3N2OS and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-propan-2-ylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
Also Known As: 2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone, 3-phenyl-2-propan-2-ylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one, 3-phenyl-2-(propan-2-ylsulfanyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
| Molecular Formula | C14H13F3N2OS |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 3.7518 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.07007 |
| Heavy Atoms | 21 |
| Complexity | 680.8539 |
Chemical Identifiers
| CAS Number | 685107-82-8 |
|---|---|
| SMILES | CC(C)SC1=NC(=CC(=O)N1C2=CC=CC=C2)C(F)(F)F |
Product Overview
2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 685107-82-8), with molecular formula C14H13F3N2OS and molecular weight 314.07 g/mol. IUPAC: 3-phenyl-2-propan-2-ylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one.
Chemical Property Profile of 2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
Property Insights of 2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
The XLogP value of 3.7518 indicates that 2-(isopropylsulfanyl)-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 34.89 Ų, 2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone has 0 hydrogen bond donor(s) and 3 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-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The CAS number of 2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is 685107-82-8.
What is the molecular formula of 2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular formula of 2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is C14H13F3N2OS.
What is the molecular weight of 2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular weight of 2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is 314.07 g/mol.
Where can I buy 2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
You can request a quote for 2-(isopropylsulfanyl)-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-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(isopropylsulfanyl)-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.