![2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile structure](/static/products/5148/514818-72-5.webp)
2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 514818-72-5) is a chemical compound with molecular formula C30H21Cl5N4O5 and molecular weight 692.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-[4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C30H21Cl5N4O5 |
|---|---|
| Molecular Weight | 692.00 g/mol |
| LogP | 8.75418 |
| Topological Polar Surface Area | 131.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 691.9955 |
| Heavy Atoms | 44 |
| Complexity | 1805.8593 |
Chemical Identifiers
| CAS Number | 514818-72-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N)COC5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)Cl |
Product Overview
2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 514818-72-5), with molecular formula C30H21Cl5N4O5 and molecular weight 692.00 g/mol. IUPAC: 2-amino-4-[4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 8.75418 indicates that 2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-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-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-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-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 514818-72-5.
What is the molecular formula of 2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C30H21Cl5N4O5.
What is the molecular weight of 2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 692.00 g/mol.
Where can I buy 2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-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-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-{3-nitrophenyl}-4-{4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]phenyl}-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.