2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate
TL;DR: 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate (CAS 328907-28-4) is a chemical compound with molecular formula C17H11N3O6 and molecular weight 353.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylquinolin-8-yl) 2,4-dinitrobenzoate
Also Known As: 2-methyl-8-quinolinyl 2,4-bisnitrobenzoate, BAS 00693882, (2-methylquinolin-8-yl) 2,4-dinitrobenzoate, 2,4-Dinitro-benzoic acid 2-methyl-quinolin-8-yl ester
| Molecular Formula | C17H11N3O6 |
|---|---|
| Molecular Weight | 353.06 g/mol |
| LogP | 3.57882 |
| Topological Polar Surface Area | 125.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.0648 |
| Heavy Atoms | 26 |
| Complexity | 1063.5476 |
Chemical Identifiers
| CAS Number | 328907-28-4 |
|---|---|
| SMILES | CC1=NC2=C(C=CC=C2OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C=C1 |
Product Overview
2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate (CAS 328907-28-4), with molecular formula C17H11N3O6 and molecular weight 353.06 g/mol. IUPAC: (2-methylquinolin-8-yl) 2,4-dinitrobenzoate.
Chemical Property Profile of 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate
Property Insights of 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate
The XLogP value of 3.57882 indicates that 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate. Following Lipinski's Rule of Five, 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate has 0 hydrogen bond donor(s) and 7 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 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate?
The CAS number of 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate is 328907-28-4.
What is the molecular formula of 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate?
The molecular formula of 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate is C17H11N3O6.
What is the molecular weight of 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate?
The molecular weight of 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate is 353.06 g/mol.
Where can I buy 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate?
You can request a quote for 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-8-quinolinyl 2,4-bisnitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.