2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 352681-93-7) is a chemical compound with molecular formula C17H14N4S and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[(cyanomethyl)sulfanyl]-4-(3-pyridinyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, 2-[(CYANOMETHYL)SULFANYL]-4-(3-PYRIDYL)-5,6,7,8-TETRAHYDRO-3-QUINOLINECARBONITRILE, 2-[(cyanomethyl)sulfanyl]-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C17H14N4S |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 3.50976 |
| Topological Polar Surface Area | 73.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0939 |
| Heavy Atoms | 22 |
| Complexity | 771.97156 |
Chemical Identifiers
| CAS Number | 352681-93-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)SCC#N)C#N)C3=CN=CC=C3 |
Product Overview
2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 352681-93-7), with molecular formula C17H14N4S and molecular weight 306.09 g/mol. IUPAC: 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 3.50976 indicates that 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has 0 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)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 352681-93-7.
What is the molecular formula of 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C17H14N4S.
What is the molecular weight of 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 306.09 g/mol.
Where can I buy 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-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-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(cyanomethylsulfanyl)-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.