2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
TL;DR: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 444930-86-3) is a chemical compound with molecular formula C29H21Cl2N3O3 and molecular weight 529.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C29H21Cl2N3O3 |
|---|---|
| Molecular Weight | 529.10 g/mol |
| LogP | 6.42058 |
| Topological Polar Surface Area | 88.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 529.096 |
| Heavy Atoms | 37 |
| Complexity | 1521.4368 |
Chemical Identifiers
| CAS Number | 444930-86-3 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1N(C(=C(C2C3=CC4=C(C=C3)OCO4)C#N)N)C5=CC(=CC(=C5)Cl)Cl)C6=CC=CC=C6 |
Product Overview
2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 444930-86-3), with molecular formula C29H21Cl2N3O3 and molecular weight 529.10 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Property Insights of 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
The XLogP value of 6.42058 indicates that 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-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 88.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile has 1 hydrogen bond donor(s) and 6 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-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The CAS number of 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 444930-86-3.
What is the molecular formula of 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular formula of 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is C29H21Cl2N3O3.
What is the molecular weight of 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular weight of 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 529.10 g/mol.
Where can I buy 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
You can request a quote for 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-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-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3,5-dichlorophenyl)-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.