![methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate structure](/static/products/397/397875-25-1.png)
methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
TL;DR: methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate (CAS 397875-25-1) is a chemical compound with molecular formula C27H27ClN2O6 and molecular weight 510.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, methyl 4-[4-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, methyl (4R)-4-[4-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C27H27ClN2O6 |
|---|---|
| Molecular Weight | 510.16 g/mol |
| LogP | 5.6042 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.15576 |
| Heavy Atoms | 36 |
| Complexity | 1310.0441 |
Chemical Identifiers
| CAS Number | 397875-25-1 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)[N+](=O)[O-])C(=O)OC |
Product Overview
methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate (CAS 397875-25-1), with molecular formula C27H27ClN2O6 and molecular weight 510.16 g/mol. IUPAC: methyl 4-[4-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Property Insights of methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
The XLogP value of 5.6042 indicates that methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate. Following Lipinski's Rule of Five, methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The CAS number of methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is 397875-25-1.
What is the molecular formula of methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The molecular formula of methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is C27H27ClN2O6.
What is the molecular weight of methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The molecular weight of methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is 510.16 g/mol.
Where can I buy methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
You can request a quote for methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.