3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline
TL;DR: 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline (CAS 866895-76-3) is a chemical compound with molecular formula C25H21NO4S and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-ethoxyphenyl)sulfonyl-6-methylquinolin-3-yl]-phenylmethanone
Also Known As: 3-BENZOYL-4-(4-ETHOXYBENZENESULFONYL)-6-METHYLQUINOLINE, F1607-0583, (4-((4-ethoxyphenyl)sulfonyl)-6-methylquinolin-3-yl)(phenyl)methanone, [4-(4-ethoxyphenyl)sulfonyl-6-methylquinolin-3-yl]-phenylmethanone
| Molecular Formula | C25H21NO4S |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 5.00572 |
| Topological Polar Surface Area | 73.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.11914 |
| Heavy Atoms | 31 |
| Complexity | 1362.3237 |
Chemical Identifiers
| CAS Number | 866895-76-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=C(C=CC3=NC=C2C(=O)C4=CC=CC=C4)C |
Product Overview
3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline (CAS 866895-76-3), with molecular formula C25H21NO4S and molecular weight 431.12 g/mol. IUPAC: [4-(4-ethoxyphenyl)sulfonyl-6-methylquinolin-3-yl]-phenylmethanone.
Chemical Property Profile of 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline
Property Insights of 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline
The XLogP value of 5.00572 indicates that 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline. Following Lipinski's Rule of Five, 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline?
The CAS number of 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline is 866895-76-3.
What is the molecular formula of 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline?
The molecular formula of 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline is C25H21NO4S.
What is the molecular weight of 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline?
The molecular weight of 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline is 431.12 g/mol.
Where can I buy 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline?
You can request a quote for 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline 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-ethoxybenzenesulfonyl)-6-methylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-4-(4-ethoxybenzenesulfonyl)-6-methylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.