2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 626228-67-9) is a chemical compound with molecular formula C16H19F3N2S and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, AM-807/41624870, 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, 2-butylsulfanyl-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-butylthio-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carboni trile
| Molecular Formula | C16H19F3N2S |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 4.98908 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.1221 |
| Heavy Atoms | 22 |
| Complexity | 590.5244 |
Chemical Identifiers
| CAS Number | 626228-67-9 |
|---|---|
| SMILES | CCCCSC1=NC2=C(CC(CC2)C)C(=C1C#N)C(F)(F)F |
Product Overview
2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 626228-67-9), with molecular formula C16H19F3N2S and molecular weight 328.12 g/mol. IUPAC: 2-butylsulfanyl-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 4.98908 indicates that 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 626228-67-9.
What is the molecular formula of 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C16H19F3N2S.
What is the molecular weight of 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 328.12 g/mol.
Where can I buy 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(butylsulfanyl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.