![1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole structure](/static/products/6812/681273-40-5.webp)
1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole
TL;DR: 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole (CAS 681273-40-5) is a chemical compound with molecular formula C23H18F3NS and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole
Also Known As: 1-benzyl-3-((3-(trifluoromethyl)benzyl)thio)-1H-indole, 1-benzyl-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indole, 1-benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole, F0545-0008
| Molecular Formula | C23H18F3NS |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 7.0007 |
| Topological Polar Surface Area | 4.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.1112 |
| Heavy Atoms | 28 |
| Complexity | 1083.9069 |
Chemical Identifiers
| CAS Number | 681273-40-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)SCC4=CC(=CC=C4)C(F)(F)F |
Product Overview
1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole (CAS 681273-40-5), with molecular formula C23H18F3NS and molecular weight 397.11 g/mol. IUPAC: 1-benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole.
Chemical Property Profile of 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole
Property Insights of 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole
The XLogP value of 7.0007 indicates that 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.93 Ų, 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole?
The CAS number of 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole is 681273-40-5.
What is the molecular formula of 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole?
The molecular formula of 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole is C23H18F3NS.
What is the molecular weight of 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole?
The molecular weight of 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole is 397.11 g/mol.
Where can I buy 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole?
You can request a quote for 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.