6T-0221
TL;DR: 6T-0221 (CAS 692287-37-9) is a chemical compound with molecular formula C25H21F3N2S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methylphenyl)methylsulfanyl]-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 6T-0221, 3-[(3-methylbenzyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, 3-[(3-methylphenyl)methylsulfanyl]-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-((3-Methylbenzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-{[(3-methylphenyl)methyl]sulfanyl}-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C25H21F3N2S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 7.1186 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.13776 |
| Heavy Atoms | 31 |
| Complexity | 1162.4043 |
Chemical Identifiers
| CAS Number | 692287-37-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=C(C3=C(CCCC3)C(=N2)C4=CC(=CC=C4)C(F)(F)F)C#N |
Product Overview
6T-0221 (CAS 692287-37-9), with molecular formula C25H21F3N2S and molecular weight 438.14 g/mol. IUPAC: 3-[(3-methylphenyl)methylsulfanyl]-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 6T-0221
Property Insights of 6T-0221
The XLogP value of 7.1186 indicates that 6T-0221 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-0221 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6T-0221 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-0221?
The CAS number of 6T-0221 is 692287-37-9.
What is the molecular formula of 6T-0221?
The molecular formula of 6T-0221 is C25H21F3N2S.
What is the molecular weight of 6T-0221?
The molecular weight of 6T-0221 is 438.14 g/mol.
Where can I buy 6T-0221?
You can request a quote for 6T-0221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6T-0221?
Yes, KEHONG BIO provides custom synthesis services for 6T-0221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.