![2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile structure](/static/products/860/860786-03-4.png)
2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
TL;DR: 2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile (CAS 860786-03-4) is a chemical compound with molecular formula C17H16N2S and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-[(4-methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, 2-[(4-methylphenyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 12R-1243, 2-(4-methylphenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C17H16N2S |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 4.2917 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.10342 |
| Heavy Atoms | 20 |
| Complexity | 668.62476 |
Chemical Identifiers
| CAS Number | 860786-03-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=C3CCCCC3=N2)C#N |
Product Overview
2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile (CAS 860786-03-4), with molecular formula C17H16N2S and molecular weight 280.10 g/mol. IUPAC: 2-(4-methylphenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
Property Insights of 2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
The XLogP value of 4.2917 indicates that 2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile 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-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile has 0 hydrogen bond donor(s) and 3 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-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The CAS number of 2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is 860786-03-4.
What is the molecular formula of 2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The molecular formula of 2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is C17H16N2S.
What is the molecular weight of 2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The molecular weight of 2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is 280.10 g/mol.
Where can I buy 2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
You can request a quote for 2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.