![2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE structure](/static/products/3393/339337-77-8.webp)
2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
TL;DR: 2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE (CAS 339337-77-8) is a chemical compound with molecular formula C24H17ClF3N3O3 and molecular weight 487.09 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-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-Amino-4-(1,3-benzodioxol-5-YL)-1-(2-chloro-5-(trifluoromethyl)phenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-1-(2-chloro-5-(trifluoromethyl)phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C24H17ClF3N3O3 |
|---|---|
| Molecular Weight | 487.09 g/mol |
| LogP | 5.39228 |
| Topological Polar Surface Area | 88.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 487.09106 |
| Heavy Atoms | 34 |
| Complexity | 1326.964 |
Chemical Identifiers
| CAS Number | 339337-77-8 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1 |
Product Overview
2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE (CAS 339337-77-8), with molecular formula C24H17ClF3N3O3 and molecular weight 487.09 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
Property Insights of 2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
The XLogP value of 5.39228 indicates that 2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-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-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE. Following Lipinski's Rule of Five, 2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-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-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE?
The CAS number of 2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE is 339337-77-8.
What is the molecular formula of 2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE?
The molecular formula of 2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE is C24H17ClF3N3O3.
What is the molecular weight of 2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE?
The molecular weight of 2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE is 487.09 g/mol.
Where can I buy 2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE?
You can request a quote for 2-AMINO-4-(1,3-BENZODIOXOL-5-YL)-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-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-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-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-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.