![diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate structure](/static/products/4900/490013-47-3.webp)
diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
TL;DR: diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 490013-47-3) is a chemical compound with molecular formula C36H36N2O9 and molecular weight 640.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, diethyl 4-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate, diethyl 4-(4-methoxy-3-((2-nitrophenoxy)methyl)phenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, DIETHYL 4-{4-METHOXY-3-[(2-NITROPHENOXY)METHYL]PHENYL}-2-METHYL-5-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDRO-3,6-QUINOLINEDICARBOXYLATE, diethyl 4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
| Molecular Formula | C36H36N2O9 |
|---|---|
| Molecular Weight | 640.24 g/mol |
| LogP | 5.8963 |
| Topological Polar Surface Area | 143.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 640.24207 |
| Heavy Atoms | 47 |
| Complexity | 1762.9336 |
Chemical Identifiers
| CAS Number | 490013-47-3 |
|---|---|
| SMILES | CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2)C)C(=O)OCC)C3=CC(=C(C=C3)OC)COC4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5 |
Product Overview
diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 490013-47-3), with molecular formula C36H36N2O9 and molecular weight 640.24 g/mol. IUPAC: diethyl 4-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.
Chemical Property Profile of diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Property Insights of diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
The XLogP value of 5.8963 indicates that diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.3 Ų indicates high polarity, suggesting diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The CAS number of diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 490013-47-3.
What is the molecular formula of diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The molecular formula of diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is C36H36N2O9.
What is the molecular weight of diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The molecular weight of diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 640.24 g/mol.
Where can I buy diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
You can request a quote for diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.