![(Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile structure](/static/products/4780/478065-17-7.webp)
(Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile
TL;DR: (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile (CAS 478065-17-7) is a chemical compound with molecular formula C25H17ClN2S and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-phenylprop-2-enenitrile
Also Known As: (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile, 3-(2-{[(4-Chlorophenyl)methyl]sulfanyl}quinolin-3-yl)-2-phenylprop-2-enenitrile, 3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-phenyl-prop-2-enenitrile, 3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-phenylprop-2-enenitrile, I+/--[[2-[[(4-Chlorophenyl)methyl]thio]-3-quinolinyl]methylene]benzeneacetonitrile
| Molecular Formula | C25H17ClN2S |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 7.24468 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0801 |
| Heavy Atoms | 29 |
| Complexity | 1209.2626 |
Chemical Identifiers
| CAS Number | 478065-17-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=CC2=CC3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl)C#N |
Product Overview
(Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile (CAS 478065-17-7), with molecular formula C25H17ClN2S and molecular weight 412.08 g/mol. IUPAC: 3-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]-2-phenylprop-2-enenitrile.
Chemical Property Profile of (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile
Property Insights of (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile
The XLogP value of 7.24468 indicates that (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile?
The CAS number of (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile is 478065-17-7.
What is the molecular formula of (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile?
The molecular formula of (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile is C25H17ClN2S.
What is the molecular weight of (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile?
The molecular weight of (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile is 412.08 g/mol.
Where can I buy (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile?
You can request a quote for (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-{2-[(4-chlorobenzyl)sulfanyl]-3-quinolinyl}-2-phenyl-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.