7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
TL;DR: 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile (CAS 131270-85-4) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile, 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-thioxo-1,2,3,4,5,6,7,8-octahydroquinoline-3-carbonitrile, 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-thioxo-1,3,4,6,7,8-hexahydroquinoline-3 -carbonitrile
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 3.39198 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 849.31244 |
Chemical Identifiers
| CAS Number | 131270-85-4 |
|---|---|
| SMILES | CC1(CC2=C(C(C(C(=S)N2)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C1)C |
Product Overview
7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile (CAS 131270-85-4), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
Property Insights of 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
The XLogP value of 3.39198 indicates that 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile. Following Lipinski's Rule of Five, 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile has 1 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-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile?
The CAS number of 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile is 131270-85-4.
What is the molecular formula of 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile?
The molecular formula of 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile is C18H17N3O3S.
What is the molecular weight of 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile?
The molecular weight of 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile is 355.10 g/mol.
Where can I buy 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile?
You can request a quote for 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-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-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.