5,7-Dichloroquinolin-8-yl 3-methylbenzoate
TL;DR: 5,7-Dichloroquinolin-8-yl 3-methylbenzoate (CAS 325810-23-9) is a chemical compound with molecular formula C17H11Cl2NO2 and molecular weight 331.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,7-dichloroquinolin-8-yl) 3-methylbenzoate
Also Known As: 5,7-dichloroquinolin-8-yl 3-methylbenzoate, BAS 01126138, 5,7-dichloro-8-quinolyl 3-methylbenzoate, (5,7-dichloroquinolin-8-yl) 3-methylbenzoate, 3-Methyl-benzoic acid 5,7-dichloro-quinolin-8-yl ester
| Molecular Formula | C17H11Cl2NO2 |
|---|---|
| Molecular Weight | 331.02 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.0167 |
| Heavy Atoms | 22 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 325810-23-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)Cl |
| InChIKey | YRQUQZJKLAYDHN-UHFFFAOYSA-N |
Product Overview
5,7-Dichloroquinolin-8-yl 3-methylbenzoate (CAS 325810-23-9), with molecular formula C17H11Cl2NO2 and molecular weight 331.02 g/mol. IUPAC: (5,7-dichloroquinolin-8-yl) 3-methylbenzoate.
Chemical Property Profile of 5,7-Dichloroquinolin-8-yl 3-methylbenzoate
Property Insights of 5,7-Dichloroquinolin-8-yl 3-methylbenzoate
The XLogP value of 5.2 indicates that 5,7-Dichloroquinolin-8-yl 3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 5,7-Dichloroquinolin-8-yl 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dichloroquinolin-8-yl 3-methylbenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,7-Dichloroquinolin-8-yl 3-methylbenzoate?
The CAS number of 5,7-Dichloroquinolin-8-yl 3-methylbenzoate is 325810-23-9.
What is the molecular formula of 5,7-Dichloroquinolin-8-yl 3-methylbenzoate?
The molecular formula of 5,7-Dichloroquinolin-8-yl 3-methylbenzoate is C17H11Cl2NO2.
What is the molecular weight of 5,7-Dichloroquinolin-8-yl 3-methylbenzoate?
The molecular weight of 5,7-Dichloroquinolin-8-yl 3-methylbenzoate is 331.02 g/mol.
Where can I buy 5,7-Dichloroquinolin-8-yl 3-methylbenzoate?
You can request a quote for 5,7-Dichloroquinolin-8-yl 3-methylbenzoate 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 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dichloroquinolin-8-yl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.