![5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol structure](/static/products/3384/338411-00-0.webp)
5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol
TL;DR: 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol (CAS 338411-00-0) is a chemical compound with molecular formula C13H11F3N2O2S and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-one
Also Known As: 3J-377S, 5-methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol, 5-methoxy-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidin-4-ol, 5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-one, 5-Methoxy-2-((3-trifluoromethyl)benzyl)sulfanyl)-4-pyrimidinol
| Molecular Formula | C13H11F3N2O2S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 3.0896 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.04935 |
| Heavy Atoms | 21 |
| Complexity | 685.602 |
Chemical Identifiers
| CAS Number | 338411-00-0 |
|---|---|
| SMILES | COC1=CN=C(NC1=O)SCC2=CC(=CC=C2)C(F)(F)F |
Product Overview
5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol (CAS 338411-00-0), with molecular formula C13H11F3N2O2S and molecular weight 316.05 g/mol. IUPAC: 5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-one.
Chemical Property Profile of 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol
Property Insights of 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol
The XLogP value of 3.0896 indicates that 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol has 1 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 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol?
The CAS number of 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol is 338411-00-0.
What is the molecular formula of 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol?
The molecular formula of 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol is C13H11F3N2O2S.
What is the molecular weight of 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol?
The molecular weight of 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol is 316.05 g/mol.
Where can I buy 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol?
You can request a quote for 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.