5-Nitroquinolin-8-yl 2,4-dichlorobenzoate
TL;DR: 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate (CAS 311316-96-8) is a chemical compound with molecular formula C16H8Cl2N2O4 and molecular weight 361.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-nitroquinolin-8-yl) 2,4-dichlorobenzoate
Also Known As: 5-nitroquinolin-8-yl 2,4-dichlorobenzoate, 5-nitro-8-quinolyl 2,4-dichlorobenzoate, (5-nitroquinolin-8-yl) 2,4-dichlorobenzoate, (5-nitro-8-quinolyl) 2,4-dichlorobenzoate, A1222/0056356
| Molecular Formula | C16H8Cl2N2O4 |
|---|---|
| Molecular Weight | 361.99 g/mol |
| LogP | 4.669 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.9861 |
| Heavy Atoms | 24 |
| Complexity | 975.44867 |
Chemical Identifiers
| CAS Number | 311316-96-8 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2N=C1)OC(=O)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-] |
Product Overview
5-Nitroquinolin-8-yl 2,4-dichlorobenzoate (CAS 311316-96-8), with molecular formula C16H8Cl2N2O4 and molecular weight 361.99 g/mol. IUPAC: (5-nitroquinolin-8-yl) 2,4-dichlorobenzoate.
Chemical Property Profile of 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate
Property Insights of 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate
The XLogP value of 4.669 indicates that 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate 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 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate. Following Lipinski's Rule of Five, 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate 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 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate?
The CAS number of 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate is 311316-96-8.
What is the molecular formula of 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate?
The molecular formula of 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate is C16H8Cl2N2O4.
What is the molecular weight of 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate?
The molecular weight of 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate is 361.99 g/mol.
Where can I buy 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate?
You can request a quote for 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitroquinolin-8-yl 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.