3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline
TL;DR: 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline (CAS 866895-54-7) is a chemical compound with molecular formula C26H23NO5S and molecular weight 461.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-ethylphenyl)sulfonyl-6,7-dimethoxyquinolin-3-yl]-phenylmethanone
Also Known As: 3-benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline, F1607-0561, (4-((4-ethylphenyl)sulfonyl)-6,7-dimethoxyquinolin-3-yl)(phenyl)methanone, [4-(4-ethylphenyl)sulfonyl-6,7-dimethoxyquinolin-3-yl]-phenylmethanone
| Molecular Formula | C26H23NO5S |
|---|---|
| Molecular Weight | 461.13 g/mol |
| LogP | 4.8782 |
| Topological Polar Surface Area | 82.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.1297 |
| Heavy Atoms | 33 |
| Complexity | 1429.534 |
Chemical Identifiers
| CAS Number | 866895-54-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)S(=O)(=O)C2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)C4=CC=CC=C4 |
Product Overview
3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline (CAS 866895-54-7), with molecular formula C26H23NO5S and molecular weight 461.13 g/mol. IUPAC: [4-(4-ethylphenyl)sulfonyl-6,7-dimethoxyquinolin-3-yl]-phenylmethanone.
Chemical Property Profile of 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline
Property Insights of 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline
The XLogP value of 4.8782 indicates that 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline. Following Lipinski's Rule of Five, 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline has 0 hydrogen bond donor(s) and 6 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 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline?
The CAS number of 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline is 866895-54-7.
What is the molecular formula of 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline?
The molecular formula of 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline is C26H23NO5S.
What is the molecular weight of 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline?
The molecular weight of 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline is 461.13 g/mol.
Where can I buy 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline?
You can request a quote for 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-4-(4-ethylbenzenesulfonyl)-6,7-dimethoxyquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.