2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 339199-81-4) is a chemical compound with molecular formula C24H18BrClN2OS and molecular weight 496.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C24H18BrClN2OS |
|---|---|
| Molecular Weight | 496.00 g/mol |
| LogP | 6.88998 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.00116 |
| Heavy Atoms | 30 |
| Complexity | 1137.8529 |
Chemical Identifiers
| CAS Number | 339199-81-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=C(C=C3)Br)C#N)C4=CC=C(C=C4)Cl |
Product Overview
2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 339199-81-4), with molecular formula C24H18BrClN2OS and molecular weight 496.00 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 6.88998 indicates that 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 339199-81-4.
What is the molecular formula of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C24H18BrClN2OS.
What is the molecular weight of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 496.00 g/mol.
Where can I buy 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-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-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.