![2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile structure](/static/products/889/889947-49-3.png)
2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 889947-49-3) is a chemical compound with molecular formula C17H13ClF3N3S and molecular weight 383.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[(6-chloropyridin-3-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, A3908/0166218, 2-{[(6-chloro-3-pyridinyl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, 2-(((6-Chloropyridin-3-yl)methyl)thio)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C17H13ClF3N3S |
|---|---|
| Molecular Weight | 383.05 g/mol |
| LogP | 5.19158 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.0471 |
| Heavy Atoms | 25 |
| Complexity | 829.00244 |
Chemical Identifiers
| CAS Number | 889947-49-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)SCC3=CN=C(C=C3)Cl)C#N)C(F)(F)F |
Product Overview
2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 889947-49-3), with molecular formula C17H13ClF3N3S and molecular weight 383.05 g/mol. IUPAC: 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 5.19158 indicates that 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-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 49.57 Ų, 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-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-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 889947-49-3.
What is the molecular formula of 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C17H13ClF3N3S.
What is the molecular weight of 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 383.05 g/mol.
Where can I buy 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-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-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(6-chloropyridin-3-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.