2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile (CAS 303965-62-0) is a chemical compound with molecular formula C20H19N3OS and molecular weight 349.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile, 2-((cyanomethyl)thio)-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-(cyanomethylthio)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,7,8-pentahydroquinoline- 3-carbonitrile, 2-[(cyanomethyl)sulfanyl]-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C20H19N3OS |
|---|---|
| Molecular Weight | 349.12 g/mol |
| LogP | 4.00856 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.12488 |
| Heavy Atoms | 25 |
| Complexity | 853.1677 |
Chemical Identifiers
| CAS Number | 303965-62-0 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2)SCC#N)C#N)C3=CC=CC=C3)C(=O)C1)C |
Product Overview
2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile (CAS 303965-62-0), with molecular formula C20H19N3OS and molecular weight 349.12 g/mol. IUPAC: 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 4.00856 indicates that 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 5 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-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile is 303965-62-0.
What is the molecular formula of 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile is C20H19N3OS.
What is the molecular weight of 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile is 349.12 g/mol.
Where can I buy 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-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-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.