6T-0227
TL;DR: 6T-0227 (CAS 692287-39-1) is a chemical compound with molecular formula C25H18F6N2S and molecular weight 492.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 6T-0227, 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, 1-[3-(trifluoromethyl)phenyl]-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C25H18F6N2S |
|---|---|
| Molecular Weight | 492.11 g/mol |
| LogP | 7.82898 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.1095 |
| Heavy Atoms | 34 |
| Complexity | 1257.7266 |
Chemical Identifiers
| CAS Number | 692287-39-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2C3=CC(=CC=C3)C(F)(F)F)SCC4=CC(=CC=C4)C(F)(F)F)C#N |
Product Overview
6T-0227 (CAS 692287-39-1), with molecular formula C25H18F6N2S and molecular weight 492.11 g/mol. IUPAC: 1-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 6T-0227
Property Insights of 6T-0227
The XLogP value of 7.82898 indicates that 6T-0227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 6T-0227 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6T-0227 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6T-0227?
The CAS number of 6T-0227 is 692287-39-1.
What is the molecular formula of 6T-0227?
The molecular formula of 6T-0227 is C25H18F6N2S.
What is the molecular weight of 6T-0227?
The molecular weight of 6T-0227 is 492.11 g/mol.
Where can I buy 6T-0227?
You can request a quote for 6T-0227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6T-0227?
Yes, KEHONG BIO provides custom synthesis services for 6T-0227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.