6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol
TL;DR: 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol (CAS 493030-75-4) is a chemical compound with molecular formula C18H13F3N2OS and molecular weight 362.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
Also Known As: 6-(benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol, 6-(benzylthio)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol, 4-benzylsulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
| Molecular Formula | C18H13F3N2OS |
|---|---|
| Molecular Weight | 362.07 g/mol |
| LogP | 4.748 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.07007 |
| Heavy Atoms | 25 |
| Complexity | 909.0995 |
Chemical Identifiers
| CAS Number | 493030-75-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C(=O)NC(=N2)C3=CC=CC=C3)C(F)(F)F |
Product Overview
6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol (CAS 493030-75-4), with molecular formula C18H13F3N2OS and molecular weight 362.07 g/mol. IUPAC: 4-benzylsulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one.
Chemical Property Profile of 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol
Property Insights of 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol
The XLogP value of 4.748 indicates that 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol has 1 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 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol?
The CAS number of 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol is 493030-75-4.
What is the molecular formula of 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol?
The molecular formula of 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol is C18H13F3N2OS.
What is the molecular weight of 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol?
The molecular weight of 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol is 362.07 g/mol.
Where can I buy 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol?
You can request a quote for 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.