4-((3-(Trifluoromethyl)benzyl)thio)quinazoline
TL;DR: 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline (CAS 124644-29-7) is a chemical compound with molecular formula C16H11F3N2S and molecular weight 320.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazoline
Also Known As: 4-((3-(trifluoromethyl)benzyl)thio)quinazoline, 4-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)quinazoline, AB00684935-01, AB00684935-03, 4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazoline
| Molecular Formula | C16H11F3N2S |
|---|---|
| Molecular Weight | 320.06 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.0595 |
| Heavy Atoms | 22 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 124644-29-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NC=N2)SCC3=CC(=CC=C3)C(F)(F)F |
| InChIKey | YCWOAPWXFDOUEO-UHFFFAOYSA-N |
Product Overview
4-((3-(Trifluoromethyl)benzyl)thio)quinazoline (CAS 124644-29-7), with molecular formula C16H11F3N2S and molecular weight 320.06 g/mol. IUPAC: 4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazoline.
Chemical Property Profile of 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline
Property Insights of 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline
The XLogP value of 4.8 indicates that 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline 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-((3-(Trifluoromethyl)benzyl)thio)quinazoline?
The CAS number of 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline is 124644-29-7.
What is the molecular formula of 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline?
The molecular formula of 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline is C16H11F3N2S.
What is the molecular weight of 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline?
The molecular weight of 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline is 320.06 g/mol.
Where can I buy 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline?
You can request a quote for 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-(Trifluoromethyl)benzyl)thio)quinazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.