![4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile structure](/static/products/799/799768-73-3.png)
4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 799768-73-3) is a chemical compound with molecular formula C28H28N2O3S and molecular weight 472.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-7,7-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-(4-methoxyphenyl)-7,7-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile, 4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-((2-oxo-2-(p-tolyl)ethyl)thio)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C28H28N2O3S |
|---|---|
| Molecular Weight | 472.18 g/mol |
| LogP | 5.6849 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.18207 |
| Heavy Atoms | 34 |
| Complexity | 1231.9075 |
Chemical Identifiers
| CAS Number | 799768-73-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OC)C#N |
Product Overview
4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 799768-73-3), with molecular formula C28H28N2O3S and molecular weight 472.18 g/mol. IUPAC: 4-(4-methoxyphenyl)-7,7-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 5.6849 indicates that 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 6 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-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 799768-73-3.
What is the molecular formula of 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C28H28N2O3S.
What is the molecular weight of 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 472.18 g/mol.
Where can I buy 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-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-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.