4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate
TL;DR: 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate (CAS 524727-52-4) is a chemical compound with molecular formula C25H20N2O4 and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate
Also Known As: 4-nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate, (4-nitrophenyl)methyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate, 4-NITROBENZYL 2-(2,5-DIMETHYLPHENYL)-4-QUINOLINECARBOXYLATE
| Molecular Formula | C25H20N2O4 |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 5.78384 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.1423 |
| Heavy Atoms | 31 |
| Complexity | 1296.9174 |
Chemical Identifiers
| CAS Number | 524727-52-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate (CAS 524727-52-4), with molecular formula C25H20N2O4 and molecular weight 412.14 g/mol. IUPAC: (4-nitrophenyl)methyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate.
Chemical Property Profile of 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate
Property Insights of 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate
The XLogP value of 5.78384 indicates that 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate. Following Lipinski's Rule of Five, 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate 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 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate?
The CAS number of 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate is 524727-52-4.
What is the molecular formula of 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate?
The molecular formula of 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate is C25H20N2O4.
What is the molecular weight of 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate?
The molecular weight of 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate is 412.14 g/mol.
Where can I buy 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate?
You can request a quote for 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzyl 2-(2,5-dimethylphenyl)quinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.