![2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile structure](/static/products/6160/6160-75-4.webp)
2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 6160-75-4) is a chemical compound with molecular formula C35H36FN3O2 and molecular weight 549.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-ethylphenyl)-4-[3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4-[3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C35H36FN3O2 |
|---|---|
| Molecular Weight | 549.28 g/mol |
| LogP | 7.52482 |
| Topological Polar Surface Area | 79.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 549.2792 |
| Heavy Atoms | 41 |
| Complexity | 1608.7878 |
Chemical Identifiers
| CAS Number | 6160-75-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CC(=C4C)COC5=CC=C(C=C5)F)C)C(=O)CC(C3)(C)C |
Product Overview
2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 6160-75-4), with molecular formula C35H36FN3O2 and molecular weight 549.28 g/mol. IUPAC: 2-amino-1-(4-ethylphenyl)-4-[3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 7.52482 indicates that 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 5 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-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 6160-75-4.
What is the molecular formula of 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C35H36FN3O2.
What is the molecular weight of 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 549.28 g/mol.
Where can I buy 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-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-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-(4-ethylphenyl)-4-{3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.