![[1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate structure](/static/products/3554/355401-67-1.webp)
[1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate
TL;DR: [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate (CAS 355401-67-1) is a chemical compound with molecular formula C26H21FN2O5 and molecular weight 460.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate
Also Known As: BIM-0046176.P001, [1-(4-fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate, 1-(4-FLUOROBENZOYL)-2,2,4-TRIMETHYL-1,2-DIHYDROQUINOLIN-6-YL 4-NITROBENZOATE, 1-[(4-fluorophenyl)carbonyl]-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 4-nitrobenzoate, 1-[(4-fluorophenyl)carbonyl]-2,2,4-trimethyl-6-1,2-dihydroquinolyl 4-nitrobenz oate
| Molecular Formula | C26H21FN2O5 |
|---|---|
| Molecular Weight | 460.14 g/mol |
| LogP | 5.7954 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.14346 |
| Heavy Atoms | 34 |
| Complexity | 1328.3019 |
Chemical Identifiers
| CAS Number | 355401-67-1 |
|---|---|
| SMILES | CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)F)(C)C |
Product Overview
[1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate (CAS 355401-67-1), with molecular formula C26H21FN2O5 and molecular weight 460.14 g/mol. IUPAC: [1-(4-fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate.
Chemical Property Profile of [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate
Property Insights of [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate
The XLogP value of 5.7954 indicates that [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate. Following Lipinski's Rule of Five, [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate?
The CAS number of [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate is 355401-67-1.
What is the molecular formula of [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate?
The molecular formula of [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate is C26H21FN2O5.
What is the molecular weight of [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate?
The molecular weight of [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate is 460.14 g/mol.
Where can I buy [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate?
You can request a quote for [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-Fluorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.