![2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile structure](/static/products/4385/438530-02-0.webp)
2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 438530-02-0) is a chemical compound with molecular formula C33H30F3N3O3 and molecular weight 573.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-amino-4-{3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl}-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-{3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl}-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C33H30F3N3O3 |
|---|---|
| Molecular Weight | 573.22 g/mol |
| LogP | 7.16018 |
| Topological Polar Surface Area | 88.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 573.22394 |
| Heavy Atoms | 42 |
| Complexity | 1617.9099 |
Chemical Identifiers
| CAS Number | 438530-02-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C3C(=C(N(C4=C3C(=O)CCC4)C5=CC=CC(=C5)C(F)(F)F)N)C#N)OC |
Product Overview
2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 438530-02-0), with molecular formula C33H30F3N3O3 and molecular weight 573.22 g/mol. IUPAC: 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 7.16018 indicates that 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile 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-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile 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-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile is 438530-02-0.
What is the molecular formula of 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile is C33H30F3N3O3.
What is the molecular weight of 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile is 573.22 g/mol.
Where can I buy 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-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-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.