![7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile structure](/static/products/299/299440-16-7.png)
7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 299440-16-7) is a chemical compound with molecular formula C20H18N2O2S and molecular weight 350.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-5-oxo-2-phenacylsulfanyl-6,8-dihydroquinoline-3-carbonitrile
Also Known As: 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 7,7-dimethyl-5-oxo-2-phenacylsulfanyl-6,8-dihydroquinoline-3-carbonitrile, 7,7-dimethyl-5-oxo-2-(2-oxo-2-phenylethylthio)-6,7,8-trihydroquinoline-3-carbo nitrile, 7,7-dimethyl-5-oxo-2-((2-oxo-2-phenylethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C20H18N2O2S |
|---|---|
| Molecular Weight | 350.11 g/mol |
| LogP | 4.08338 |
| Topological Polar Surface Area | 70.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.1089 |
| Heavy Atoms | 25 |
| Complexity | 882.55945 |
Chemical Identifiers
| CAS Number | 299440-16-7 |
|---|---|
| SMILES | CC1(CC2=C(C=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C(=O)C1)C |
Product Overview
7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 299440-16-7), with molecular formula C20H18N2O2S and molecular weight 350.11 g/mol. IUPAC: 7,7-dimethyl-5-oxo-2-phenacylsulfanyl-6,8-dihydroquinoline-3-carbonitrile.
Chemical Property Profile of 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 4.08338 indicates that 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has 0 hydrogen bond donor(s) and 5 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 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 299440-16-7.
What is the molecular formula of 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C20H18N2O2S.
What is the molecular weight of 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 350.11 g/mol.
Where can I buy 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-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 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.