Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate
TL;DR: Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate (CAS 847467-18-9) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,5-dioxo-1,3,4,6,7,8-hexahydroquinolin-4-yl)benzoate
Also Known As: BAS 12519882, methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate, methyl 4-(2,5-dioxo-1,3,4,6,7,8-hexahydroquinolin-4-yl)benzoate, methyl 4-(2,5-dioxo-4-1,3,4,6,7,8-hexahydroquinolyl)benzoate, 4-(2,5-Dioxo-1,2,3,4,5,6,7,8-octahydro-quinolin-4-yl)-benzoic acid methyl ester
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 2.0838 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 672.4043 |
Chemical Identifiers
| CAS Number | 847467-18-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2CC(=O)NC3=C2C(=O)CCC3 |
Product Overview
Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate (CAS 847467-18-9), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: methyl 4-(2,5-dioxo-1,3,4,6,7,8-hexahydroquinolin-4-yl)benzoate.
Chemical Property Profile of Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate
Property Insights of Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate
The XLogP value of 2.0838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate?
The CAS number of Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate is 847467-18-9.
What is the molecular formula of Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate?
The molecular formula of Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate is C17H17NO4.
What is the molecular weight of Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate?
The molecular weight of Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate is 299.12 g/mol.
Where can I buy Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate?
You can request a quote for Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.