4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 303101-84-0) is a chemical compound with molecular formula C20H21N3OS and molecular weight 351.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-2-sulfanylidene-6,8-dihydro-1H-quinoline-3-carbonitrile
Also Known As: 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-(4-dimethylaminophenyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-6,8-dihydro-1H-quinoline-3-carbonitrile, 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C20H21N3OS |
|---|---|
| Molecular Weight | 351.14 g/mol |
| LogP | 4.50397 |
| Topological Polar Surface Area | 59.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.14053 |
| Heavy Atoms | 25 |
| Complexity | 946.63214 |
Chemical Identifiers
| CAS Number | 303101-84-0 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2)C#N)C3=CC=C(C=C3)N(C)C)C |
Product Overview
4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 303101-84-0), with molecular formula C20H21N3OS and molecular weight 351.14 g/mol. IUPAC: 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-2-sulfanylidene-6,8-dihydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 4.50397 indicates that 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.89 Ų, 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 4 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 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is 303101-84-0.
What is the molecular formula of 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is C20H21N3OS.
What is the molecular weight of 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile is 351.14 g/mol.
Where can I buy 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-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-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(dimethylamino)phenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.