5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate
TL;DR: 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate (CAS 457960-66-6) is a chemical compound with molecular formula C18H13Cl2NO2 and molecular weight 345.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,7-dichloroquinolin-8-yl) 3,4-dimethylbenzoate
Also Known As: 5,7-dichloro-8-quinolyl 3,4-dimethylbenzoate, (5,7-dichloroquinolin-8-yl) 3,4-dimethylbenzoate, 5,7-DICHLOROQUINOLIN-8-YL 3,4-DIMETHYLBENZOATE
| Molecular Formula | C18H13Cl2NO2 |
|---|---|
| Molecular Weight | 345.03 g/mol |
| LogP | 5.37764 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.03235 |
| Heavy Atoms | 23 |
| Complexity | 922.2838 |
Chemical Identifiers
| CAS Number | 457960-66-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)Cl)C |
Product Overview
5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate (CAS 457960-66-6), with molecular formula C18H13Cl2NO2 and molecular weight 345.03 g/mol. IUPAC: (5,7-dichloroquinolin-8-yl) 3,4-dimethylbenzoate.
Chemical Property Profile of 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate
Property Insights of 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate
The XLogP value of 5.37764 indicates that 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate 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-Dichloro-8-quinolyl 3,4-dimethylbenzoate?
The CAS number of 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate is 457960-66-6.
What is the molecular formula of 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate?
The molecular formula of 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate is C18H13Cl2NO2.
What is the molecular weight of 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate?
The molecular weight of 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate is 345.03 g/mol.
Where can I buy 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate?
You can request a quote for 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dichloro-8-quinolyl 3,4-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.