4-(4-methoxyphenyl)-7,7-dimethyl-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 4-(4-methoxyphenyl)-7,7-dimethyl-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 577963-17-8) is a chemical compound with molecular formula C30H31N3O3S and molecular weight 513.21 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-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 4-(4-methoxyphenyl)-7,7-dimethyl-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-(4-methoxyphenyl)-7,7-dimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile, 5-hydroxy-4-(4-methoxyphenyl)-7,7-dimethyl-2-{[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C30H31N3O3S |
|---|---|
| Molecular Weight | 513.21 g/mol |
| LogP | 5.47138 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.2086 |
| Heavy Atoms | 37 |
| Complexity | 1367.1855 |
Chemical Identifiers
| CAS Number | 577963-17-8 |
|---|---|
| SMILES | CC1CC2=CC=CC=C2N1C(=O)CSC3=C(C(C4=C(N3)CC(CC4=O)(C)C)C5=CC=C(C=C5)OC)C#N |
Product Overview
4-(4-methoxyphenyl)-7,7-dimethyl-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 577963-17-8), with molecular formula C30H31N3O3S and molecular weight 513.21 g/mol. IUPAC: 4-(4-methoxyphenyl)-7,7-dimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 4-(4-methoxyphenyl)-7,7-dimethyl-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 4-(4-methoxyphenyl)-7,7-dimethyl-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 5.47138 indicates that 4-(4-methoxyphenyl)-7,7-dimethyl-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-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 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-methoxyphenyl)-7,7-dimethyl-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-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-(2-methylindolin-1-yl)-2-oxoethyl)thio)-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-(2-methylindolin-1-yl)-2-oxoethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 4-(4-methoxyphenyl)-7,7-dimethyl-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 577963-17-8.
What is the molecular formula of 4-(4-methoxyphenyl)-7,7-dimethyl-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 4-(4-methoxyphenyl)-7,7-dimethyl-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C30H31N3O3S.
What is the molecular weight of 4-(4-methoxyphenyl)-7,7-dimethyl-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 4-(4-methoxyphenyl)-7,7-dimethyl-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 513.21 g/mol.
Where can I buy 4-(4-methoxyphenyl)-7,7-dimethyl-2-((2-(2-methylindolin-1-yl)-2-oxoethyl)thio)-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-(2-methylindolin-1-yl)-2-oxoethyl)thio)-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-(2-methylindolin-1-yl)-2-oxoethyl)thio)-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-(2-methylindolin-1-yl)-2-oxoethyl)thio)-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.