4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile
TL;DR: 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile (CAS 330182-31-5) is a chemical compound with molecular formula C22H23BrN2OS and molecular weight 442.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile, 3-Allyl-4-(4-bromo-phenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile, 3-allyl-4-(4-bromophenyl)-7,7-dimethyl-2-(methylthio)-5-oxo-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-(4-bromophenyl)-7,7-dimethyl-2-(methylsulfanyl)-5-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C22H23BrN2OS |
|---|---|
| Molecular Weight | 442.07 g/mol |
| LogP | 6.03708 |
| Topological Polar Surface Area | 53.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.07144 |
| Heavy Atoms | 27 |
| Complexity | 891.883 |
Chemical Identifiers
| CAS Number | 330182-31-5 |
|---|---|
| SMILES | CC1(CC2=C(C(C(C(=N2)SC)(CC=C)C#N)C3=CC=C(C=C3)Br)C(=O)C1)C |
Product Overview
4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile (CAS 330182-31-5), with molecular formula C22H23BrN2OS and molecular weight 442.07 g/mol. IUPAC: 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile
Property Insights of 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile
The XLogP value of 6.03708 indicates that 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.22 Ų, 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-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 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The CAS number of 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile is 330182-31-5.
What is the molecular formula of 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The molecular formula of 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile is C22H23BrN2OS.
What is the molecular weight of 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
The molecular weight of 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile is 442.07 g/mol.
Where can I buy 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
You can request a quote for 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromophenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.