Quinolin-8-yl 2,4-dinitrobenzoate
TL;DR: Quinolin-8-yl 2,4-dinitrobenzoate (CAS 345258-83-5) is a chemical compound with molecular formula C16H9N3O6 and molecular weight 339.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 2,4-dinitrobenzoate
Also Known As: quinolin-8-yl 2,4-dinitrobenzoate, 8-quinolyl 2,4-dinitrobenzoate, 8-quinolinyl 2,4-dinitrobenzoate
| Molecular Formula | C16H9N3O6 |
|---|---|
| Molecular Weight | 339.05 g/mol |
| LogP | 3.2704 |
| Topological Polar Surface Area | 125.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.04913 |
| Heavy Atoms | 25 |
| Complexity | 1012.4276 |
Chemical Identifiers
| CAS Number | 345258-83-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N=CC=C2 |
Product Overview
Quinolin-8-yl 2,4-dinitrobenzoate (CAS 345258-83-5), with molecular formula C16H9N3O6 and molecular weight 339.05 g/mol. IUPAC: quinolin-8-yl 2,4-dinitrobenzoate.
Chemical Property Profile of Quinolin-8-yl 2,4-dinitrobenzoate
Property Insights of Quinolin-8-yl 2,4-dinitrobenzoate
The XLogP value of 3.2704 indicates that Quinolin-8-yl 2,4-dinitrobenzoate 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 Quinolin-8-yl 2,4-dinitrobenzoate. Following Lipinski's Rule of Five, Quinolin-8-yl 2,4-dinitrobenzoate 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 Quinolin-8-yl 2,4-dinitrobenzoate?
The CAS number of Quinolin-8-yl 2,4-dinitrobenzoate is 345258-83-5.
What is the molecular formula of Quinolin-8-yl 2,4-dinitrobenzoate?
The molecular formula of Quinolin-8-yl 2,4-dinitrobenzoate is C16H9N3O6.
What is the molecular weight of Quinolin-8-yl 2,4-dinitrobenzoate?
The molecular weight of Quinolin-8-yl 2,4-dinitrobenzoate is 339.05 g/mol.
Where can I buy Quinolin-8-yl 2,4-dinitrobenzoate?
You can request a quote for Quinolin-8-yl 2,4-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolin-8-yl 2,4-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Quinolin-8-yl 2,4-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.