![2-[(4-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile structure](/static/products/4390/439095-84-8.webp)
2-[(4-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
TL;DR: 2-[(4-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile (CAS 439095-84-8) is a chemical compound with molecular formula C16H13ClN2S and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-[(4-chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, 2-[(4-chlorophenyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 1T-1254, 2-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C16H13ClN2S |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 4.63668 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.0488 |
| Heavy Atoms | 20 |
| Complexity | 674.11163 |
Chemical Identifiers
| CAS Number | 439095-84-8 |
|---|---|
| SMILES | C1CCC2=NC(=C(C=C2C1)C#N)SC3=CC=C(C=C3)Cl |
Product Overview
2-[(4-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile (CAS 439095-84-8), with molecular formula C16H13ClN2S and molecular weight 300.05 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-[(4-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
Property Insights of 2-[(4-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
The XLogP value of 4.63668 indicates that 2-[(4-Chlorophenyl)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-Chlorophenyl)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-Chlorophenyl)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-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The CAS number of 2-[(4-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is 439095-84-8.
What is the molecular formula of 2-[(4-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The molecular formula of 2-[(4-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is C16H13ClN2S.
What is the molecular weight of 2-[(4-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The molecular weight of 2-[(4-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is 300.05 g/mol.
Where can I buy 2-[(4-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
You can request a quote for 2-[(4-Chlorophenyl)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-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorophenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.