5-Chloroquinolin-8-yl 3,4-dimethylbenzoate
TL;DR: 5-Chloroquinolin-8-yl 3,4-dimethylbenzoate (CAS 496015-76-0) is a chemical compound with molecular formula C18H14ClNO2 and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloroquinolin-8-yl) 3,4-dimethylbenzoate
Also Known As: 5-chloroquinolin-8-yl 3,4-dimethylbenzoate, (5-chloroquinolin-8-yl) 3,4-dimethylbenzoate, 5-chloro-8-quinolyl 3,4-dimethylbenzoate, 5-chloro-8-quinolinyl 3,4-dimethylbenzoate, AP-263/40061674
| Molecular Formula | C18H14ClNO2 |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 4.72424 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.07132 |
| Heavy Atoms | 22 |
| Complexity | 874.0902 |
Chemical Identifiers
| CAS Number | 496015-76-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)C |
Product Overview
5-Chloroquinolin-8-yl 3,4-dimethylbenzoate (CAS 496015-76-0), with molecular formula C18H14ClNO2 and molecular weight 311.07 g/mol. IUPAC: (5-chloroquinolin-8-yl) 3,4-dimethylbenzoate.
Chemical Property Profile of 5-Chloroquinolin-8-yl 3,4-dimethylbenzoate
Property Insights of 5-Chloroquinolin-8-yl 3,4-dimethylbenzoate
The XLogP value of 4.72424 indicates that 5-Chloroquinolin-8-yl 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-Chloroquinolin-8-yl 3,4-dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloroquinolin-8-yl 3,4-dimethylbenzoate 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 5-Chloroquinolin-8-yl 3,4-dimethylbenzoate?
The CAS number of 5-Chloroquinolin-8-yl 3,4-dimethylbenzoate is 496015-76-0.
What is the molecular formula of 5-Chloroquinolin-8-yl 3,4-dimethylbenzoate?
The molecular formula of 5-Chloroquinolin-8-yl 3,4-dimethylbenzoate is C18H14ClNO2.
What is the molecular weight of 5-Chloroquinolin-8-yl 3,4-dimethylbenzoate?
The molecular weight of 5-Chloroquinolin-8-yl 3,4-dimethylbenzoate is 311.07 g/mol.
Where can I buy 5-Chloroquinolin-8-yl 3,4-dimethylbenzoate?
You can request a quote for 5-Chloroquinolin-8-yl 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-Chloroquinolin-8-yl 3,4-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloroquinolin-8-yl 3,4-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.