2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile (CAS 201424-77-3) is a chemical compound with molecular formula C17H21N3OS and molecular weight 315.14 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-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile, 4-isopropyl-7,7-dimethyl-5-oxo-3-cyano-2-cyanomethylthio-1,4,5,6,7,8-hexahydroquinoline, 2-((cyanomethyl)thio)-4-isopropyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-[(cyanomethyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(propan-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C17H21N3OS |
|---|---|
| Molecular Weight | 315.14 g/mol |
| LogP | 3.49696 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.14053 |
| Heavy Atoms | 22 |
| Complexity | 643.79565 |
Chemical Identifiers
| CAS Number | 201424-77-3 |
|---|---|
| SMILES | CC(C)C1C(=C(NC2=C1C(=O)CC(C2)(C)C)SCC#N)C#N |
Product Overview
2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile (CAS 201424-77-3), with molecular formula C17H21N3OS and molecular weight 315.14 g/mol. IUPAC: 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 3.49696 indicates that 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-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-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-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-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile is 201424-77-3.
What is the molecular formula of 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile is C17H21N3OS.
What is the molecular weight of 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile is 315.14 g/mol.
Where can I buy 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-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-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(cyanomethylsulfanyl)-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.