Quinolin-8-yl 3,4-dichlorobenzoate
TL;DR: Quinolin-8-yl 3,4-dichlorobenzoate (CAS 7596-84-1) is a chemical compound with molecular formula C16H9Cl2NO2 and molecular weight 317.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 3,4-dichlorobenzoate
Also Known As: quinolin-8-yl 3,4-dichlorobenzoate, (quinolin-8-yl)-3,4-dichlorobenzoate, BAS 00737474, (QUINOLIN-8-YL) 3,4-DICHLOROBENZOATE, 3,4-Dichloro-benzoic acid quinolin-8-yl ester
| Molecular Formula | C16H9Cl2NO2 |
|---|---|
| Molecular Weight | 317.00 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.00104 |
| Heavy Atoms | 21 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 7596-84-1 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OC(=O)C3=CC(=C(C=C3)Cl)Cl)N=CC=C2 |
| InChIKey | ZPZTVZIMTHQFFD-UHFFFAOYSA-N |
Product Overview
Quinolin-8-yl 3,4-dichlorobenzoate (CAS 7596-84-1), with molecular formula C16H9Cl2NO2 and molecular weight 317.00 g/mol. IUPAC: quinolin-8-yl 3,4-dichlorobenzoate.
Chemical Property Profile of Quinolin-8-yl 3,4-dichlorobenzoate
Property Insights of Quinolin-8-yl 3,4-dichlorobenzoate
The XLogP value of 4.9 indicates that Quinolin-8-yl 3,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Quinolin-8-yl 3,4-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinolin-8-yl 3,4-dichlorobenzoate has 0 hydrogen bond donor(s) and 3 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 3,4-dichlorobenzoate?
The CAS number of Quinolin-8-yl 3,4-dichlorobenzoate is 7596-84-1.
What is the molecular formula of Quinolin-8-yl 3,4-dichlorobenzoate?
The molecular formula of Quinolin-8-yl 3,4-dichlorobenzoate is C16H9Cl2NO2.
What is the molecular weight of Quinolin-8-yl 3,4-dichlorobenzoate?
The molecular weight of Quinolin-8-yl 3,4-dichlorobenzoate is 317.00 g/mol.
Where can I buy Quinolin-8-yl 3,4-dichlorobenzoate?
You can request a quote for Quinolin-8-yl 3,4-dichlorobenzoate 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 3,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Quinolin-8-yl 3,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.