![2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile structure](/static/products/4449/444926-98-1.webp)
2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
TL;DR: 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile (CAS 444926-98-1) is a chemical compound with molecular formula C34H31F3N4O5 and molecular weight 632.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile, 2-amino-4-[3-({4-nitro-3-methylphenoxy}methyl)-4-methoxyphenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-4-{4-METHOXY-3-[(3-METHYL-4-NITROPHENOXY)METHYL]PHENYL}-7,7-DIMETHYL-5-OXO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C34H31F3N4O5 |
|---|---|
| Molecular Weight | 632.22 g/mol |
| LogP | 7.4505 |
| Topological Polar Surface Area | 131.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 632.2247 |
| Heavy Atoms | 46 |
| Complexity | 1855.8235 |
Chemical Identifiers
| CAS Number | 444926-98-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=CC=CC(=C5)C(F)(F)F)N)C#N)OC)[N+](=O)[O-] |
Product Overview
2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile (CAS 444926-98-1), with molecular formula C34H31F3N4O5 and molecular weight 632.22 g/mol. IUPAC: 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
Property Insights of 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
The XLogP value of 7.4505 indicates that 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-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-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile?
The CAS number of 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile is 444926-98-1.
What is the molecular formula of 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile?
The molecular formula of 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile is C34H31F3N4O5.
What is the molecular weight of 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile?
The molecular weight of 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile is 632.22 g/mol.
Where can I buy 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile?
You can request a quote for 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-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 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.