![2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile structure](/static/products/4449/444934-14-9.webp)
2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 444934-14-9) is a chemical compound with molecular formula C34H33ClN4O5 and molecular weight 612.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(2-chloro-4-nitrophenyl)-4-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(2-chloro-4-nitrophenyl)-4-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 2-amino-1-(2-chloro-4-nitrophenyl)-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-1-(2-CHLORO-4-NITROPHENYL)-4-{3-[(2,6-DIMETHYLPHENOXY)METHYL]-4-METHOXYPHENYL}-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
| Molecular Formula | C34H33ClN4O5 |
|---|---|
| Molecular Weight | 612.21 g/mol |
| LogP | 7.39352 |
| Topological Polar Surface Area | 131.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 612.2139 |
| Heavy Atoms | 44 |
| Complexity | 1783.2429 |
Chemical Identifiers
| CAS Number | 444934-14-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC2=C(C=CC(=C2)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=C(C=C(C=C5)[N+](=O)[O-])Cl)N)C#N)OC |
Product Overview
2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 444934-14-9), with molecular formula C34H33ClN4O5 and molecular weight 612.21 g/mol. IUPAC: 2-amino-1-(2-chloro-4-nitrophenyl)-4-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 7.39352 indicates that 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-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 131.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-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-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 444934-14-9.
What is the molecular formula of 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C34H33ClN4O5.
What is the molecular weight of 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 612.21 g/mol.
Where can I buy 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 2-amino-1-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-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-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-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-{2-chloro-4-nitrophenyl}-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-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.