5,7-Dichloroquinolin-8-yl 2-nitrobenzoate
TL;DR: 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate (CAS 693231-99-1) 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.
(5,7-dichloroquinolin-8-yl) 2-nitrobenzoate
Also Known As: 5,7-dichloroquinolin-8-yl 2-nitrobenzoate, 5,7-dichloro-8-quinolyl 2-nitrobenzoate, (5,7-dichloroquinolin-8-yl) 2-nitrobenzoate
| 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 | 693231-99-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)Cl)[N+](=O)[O-] |
Product Overview
5,7-Dichloroquinolin-8-yl 2-nitrobenzoate (CAS 693231-99-1), with molecular formula C16H8Cl2N2O4 and molecular weight 361.99 g/mol. IUPAC: (5,7-dichloroquinolin-8-yl) 2-nitrobenzoate.
Chemical Property Profile of 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate
Property Insights of 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate
The XLogP value of 4.669 indicates that 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate 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 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate. Following Lipinski's Rule of Five, 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate 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 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate?
The CAS number of 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate is 693231-99-1.
What is the molecular formula of 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate?
The molecular formula of 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate is C16H8Cl2N2O4.
What is the molecular weight of 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate?
The molecular weight of 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate is 361.99 g/mol.
Where can I buy 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate?
You can request a quote for 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dichloroquinolin-8-yl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.