6T-0222
TL;DR: 6T-0222 (CAS 685109-31-3) is a chemical compound with molecular formula C28H27F3N2S and molecular weight 480.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butylphenyl)methylsulfanyl]-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 6T-0222, 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, 3-[(4-tert-butylphenyl)methylsulfanyl]-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-((4-(tert-Butyl)benzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-{[(4-tert-butylphenyl)methyl]sulfanyl}-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C28H27F3N2S |
|---|---|
| Molecular Weight | 480.18 g/mol |
| LogP | 8.10768 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.1847 |
| Heavy Atoms | 34 |
| Complexity | 1232.7219 |
Chemical Identifiers
| CAS Number | 685109-31-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=C(C3=C(CCCC3)C(=N2)C4=CC(=CC=C4)C(F)(F)F)C#N |
Product Overview
6T-0222 (CAS 685109-31-3), with molecular formula C28H27F3N2S and molecular weight 480.18 g/mol. IUPAC: 3-[(4-tert-butylphenyl)methylsulfanyl]-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 6T-0222
Property Insights of 6T-0222
The XLogP value of 8.10768 indicates that 6T-0222 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-0222 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6T-0222 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-0222?
The CAS number of 6T-0222 is 685109-31-3.
What is the molecular formula of 6T-0222?
The molecular formula of 6T-0222 is C28H27F3N2S.
What is the molecular weight of 6T-0222?
The molecular weight of 6T-0222 is 480.18 g/mol.
Where can I buy 6T-0222?
You can request a quote for 6T-0222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6T-0222?
Yes, KEHONG BIO provides custom synthesis services for 6T-0222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.