2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 476483-32-6) is a chemical compound with molecular formula C23H22N4O3S2 and molecular weight 466.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-ethylsulfanylthiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-[2-(ethylsulfanyl)-3-thienyl]-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-AMINO-4-(2-(ETHYLSULFANYL)-3-THIENYL)-1-(2-METHYL-5-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-4-(2-ethylsulfanylthiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-AMINO-4-[2-(ETHYLSULFANYL)THIOPHEN-3-YL]-1-(2-METHYL-5-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBONITRILE
| Molecular Formula | C23H22N4O3S2 |
|---|---|
| Molecular Weight | 466.11 g/mol |
| LogP | 5.3815 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.11334 |
| Heavy Atoms | 32 |
| Complexity | 1222.0701 |
Chemical Identifiers
| CAS Number | 476483-32-6 |
|---|---|
| SMILES | CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=CC(=C4)[N+](=O)[O-])C)N)C#N |
Product Overview
2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 476483-32-6), with molecular formula C23H22N4O3S2 and molecular weight 466.11 g/mol. IUPAC: 2-amino-4-(2-ethylsulfanylthiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 5.3815 indicates that 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-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 113.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 476483-32-6.
What is the molecular formula of 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C23H22N4O3S2.
What is the molecular weight of 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 466.11 g/mol.
Where can I buy 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-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 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(2-(ethylthio)thiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-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.