![2-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone structure](/static/products/6922/692287-48-2.webp)
2-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
TL;DR: 2-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 692287-48-2) is a chemical compound with molecular formula C18H12F4N2OS and molecular weight 380.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-fluorophenyl)methylsulfanyl]-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one
Also Known As: Bionet1_004892, MixCom3_000060, 6T-0264, 2-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone, 2-[(3-fluorophenyl)methylsulfanyl]-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one
| Molecular Formula | C18H12F4N2OS |
|---|---|
| Molecular Weight | 380.06 g/mol |
| LogP | 4.6827 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.06064 |
| Heavy Atoms | 26 |
| Complexity | 970.9154 |
Chemical Identifiers
| CAS Number | 692287-48-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C=C(N=C2SCC3=CC(=CC=C3)F)C(F)(F)F |
Product Overview
2-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 692287-48-2), with molecular formula C18H12F4N2OS and molecular weight 380.06 g/mol. IUPAC: 2-[(3-fluorophenyl)methylsulfanyl]-3-phenyl-6-(trifluoromethyl)pyrimidin-4-one.
Chemical Property Profile of 2-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
Property Insights of 2-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
The XLogP value of 4.6827 indicates that 2-[(3-fluorobenzyl)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 34.89 Ų, 2-[(3-fluorobenzyl)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-[(3-fluorobenzyl)sulfanyl]-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-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The CAS number of 2-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is 692287-48-2.
What is the molecular formula of 2-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular formula of 2-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is C18H12F4N2OS.
What is the molecular weight of 2-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular weight of 2-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone is 380.06 g/mol.
Where can I buy 2-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
You can request a quote for 2-[(3-fluorobenzyl)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-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-fluorobenzyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.