![4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine structure](/static/products/851/851130-50-2.png)
4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine
TL;DR: 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine (CAS 851130-50-2) is a chemical compound with molecular formula C18H11F3N2OS and molecular weight 360.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine
Also Known As: F0596-0087, 4-((3-(trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine, 4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine, 6-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene, 1-{[m-(trifluoromethyl)phenyl]methylthio}-9-oxa-2,4-diazafluorene
| Molecular Formula | C18H11F3N2OS |
|---|---|
| Molecular Weight | 360.05 g/mol |
| LogP | 5.6871 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.0544 |
| Heavy Atoms | 25 |
| Complexity | 1058.9971 |
Chemical Identifiers
| CAS Number | 851130-50-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC4=CC(=CC=C4)C(F)(F)F |
Product Overview
4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine (CAS 851130-50-2), with molecular formula C18H11F3N2OS and molecular weight 360.05 g/mol. IUPAC: 4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine.
Chemical Property Profile of 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine
Property Insights of 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine
The XLogP value of 5.6871 indicates that 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine?
The CAS number of 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine is 851130-50-2.
What is the molecular formula of 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine?
The molecular formula of 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine is C18H11F3N2OS.
What is the molecular weight of 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine?
The molecular weight of 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine is 360.05 g/mol.
Where can I buy 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine?
You can request a quote for 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine 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)benzofuro[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-(Trifluoromethyl)benzyl)thio)benzofuro[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.