![2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile structure](/static/products/6262/626227-53-0.webp)
2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
TL;DR: 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile (CAS 626227-53-0) is a chemical compound with molecular formula C19H16ClF3N2S and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Also Known As: 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, AM-807/41624842, 2-[(2-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, 2-((2-Chlorobenzyl)thio)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile
| Molecular Formula | C19H16ClF3N2S |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 6.18668 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.06747 |
| Heavy Atoms | 26 |
| Complexity | 859.08344 |
Chemical Identifiers
| CAS Number | 626227-53-0 |
|---|---|
| SMILES | C1CCC2=C(CC1)N=C(C(=C2C(F)(F)F)C#N)SCC3=CC=CC=C3Cl |
Product Overview
2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile (CAS 626227-53-0), with molecular formula C19H16ClF3N2S and molecular weight 396.07 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Property Insights of 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
The XLogP value of 6.18668 indicates that 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-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-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile 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 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The CAS number of 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is 626227-53-0.
What is the molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is C19H16ClF3N2S.
What is the molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is 396.07 g/mol.
Where can I buy 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
You can request a quote for 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-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-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-chlorobenzyl)sulfanyl]-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.