2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
TL;DR: 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 444930-45-4) is a chemical compound with molecular formula C30H25ClN4O4 and molecular weight 540.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-chloro-2-nitrophenyl)-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-1-(4-chloro-2-nitrophenyl)-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(4-chloro-2-nitrophenyl)-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-AMINO-1-(4-CHLORO-2-NITROPHENYL)-4-(4-ETHOXYPHENYL)-5-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
| Molecular Formula | C30H25ClN4O4 |
|---|---|
| Molecular Weight | 540.16 g/mol |
| LogP | 6.34538 |
| Topological Polar Surface Area | 122.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 540.15643 |
| Heavy Atoms | 39 |
| Complexity | 1558.0216 |
Chemical Identifiers
| CAS Number | 444930-45-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)C4=CC=CC=C4)C5=C(C=C(C=C5)Cl)[N+](=O)[O-])N)C#N |
Product Overview
2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 444930-45-4), with molecular formula C30H25ClN4O4 and molecular weight 540.16 g/mol. IUPAC: 2-amino-1-(4-chloro-2-nitrophenyl)-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Property Insights of 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
The XLogP value of 6.34538 indicates that 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile. Following Lipinski's Rule of Five, 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile has 1 hydrogen bond donor(s) and 7 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-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The CAS number of 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 444930-45-4.
What is the molecular formula of 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular formula of 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is C30H25ClN4O4.
What is the molecular weight of 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular weight of 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 540.16 g/mol.
Where can I buy 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
You can request a quote for 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-{4-chloro-2-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.