methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate
TL;DR: methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate (CAS 329932-14-1) is a chemical compound with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-nitrobenzoate
Also Known As: methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate, methyl 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-nitrobenzoate, methyl 5-nitro-3-(1,2,3,4-tetrahydroquinolylcarbonyl)benzoate, methyl 3-nitro-5-(1,2,3,4-tetrahydroquinoline-1-carbonyl)benzoate, METHYL 3-[3,4-DIHYDRO-1(2H)-QUINOLINYLCARBONYL]-5-NITROBENZOATE
| Molecular Formula | C18H16N2O5 |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.10593 |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 329932-14-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC3=CC=CC=C32)[N+](=O)[O-] |
| InChIKey | KNBONNIXFAAKLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate (CAS 329932-14-1), with molecular formula C18H16N2O5 and molecular weight 340.11 g/mol. IUPAC: methyl 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-nitrobenzoate.
Chemical Property Profile of methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate
Property Insights of methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate
The XLogP value of 3.0 indicates that methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate. Following Lipinski's Rule of Five, methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate has 0 hydrogen bond donor(s) and 5 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 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate?
The CAS number of methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate is 329932-14-1.
What is the molecular formula of methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate?
The molecular formula of methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate is C18H16N2O5.
What is the molecular weight of methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate?
The molecular weight of methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate is 340.11 g/mol.
Where can I buy methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate?
You can request a quote for methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.