![2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile structure](/static/products/4449/444930-57-8.webp)
2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
TL;DR: 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 444930-57-8) is a chemical compound with molecular formula C32H28BrClN4O5 and molecular weight 662.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(4-chloro-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(4-chloro-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-(4-chloro-2-nitrophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-4-{3-[(4-BROMOPHENOXY)METHYL]-4-METHOXYPHENYL}-1-(4-CHLORO-2-NITROPHENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
| Molecular Formula | C32H28BrClN4O5 |
|---|---|
| Molecular Weight | 662.09 g/mol |
| LogP | 7.53918 |
| Topological Polar Surface Area | 131.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 662.09314 |
| Heavy Atoms | 43 |
| Complexity | 1743.3125 |
Chemical Identifiers
| CAS Number | 444930-57-8 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Cl)[N+](=O)[O-])N)C#N)C4=CC(=C(C=C4)OC)COC5=CC=C(C=C5)Br)C(=O)C1)C |
Product Overview
2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 444930-57-8), with molecular formula C32H28BrClN4O5 and molecular weight 662.09 g/mol. IUPAC: 2-amino-4-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(4-chloro-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Property Insights of 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
The XLogP value of 7.53918 indicates that 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-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 131.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile. Following Lipinski's Rule of Five, 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 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-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The CAS number of 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 444930-57-8.
What is the molecular formula of 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular formula of 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is C32H28BrClN4O5.
What is the molecular weight of 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular weight of 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 662.09 g/mol.
Where can I buy 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
You can request a quote for 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-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-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-1-{4-chloro-2-nitrophenyl}-7,7-dimethyl-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.