5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 577999-85-0) is a chemical compound with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-2-methylsulfanyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 7,7-dimethyl-2-(methylthio)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 7,7-dimethyl-2-methylsulfanyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C22H26N2O4S |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 4.14058 |
| Topological Polar Surface Area | 80.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.16132 |
| Heavy Atoms | 29 |
| Complexity | 931.0443 |
Chemical Identifiers
| CAS Number | 577999-85-0 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2)SC)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C1)C |
Product Overview
5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 577999-85-0), with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol. IUPAC: 7,7-dimethyl-2-methylsulfanyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 4.14058 indicates that 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile is 577999-85-0.
What is the molecular formula of 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile is C22H26N2O4S.
What is the molecular weight of 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile is 414.16 g/mol.
Where can I buy 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-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 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.