3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline
TL;DR: 3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline (CAS 899760-10-2) is a chemical compound with molecular formula C26H22FNO4S and molecular weight 463.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethylphenyl)-[4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]methanone
Also Known As: ChemDiv3_014617, IDI1_030415, 3-(3,4-DIMETHYLBENZOYL)-4-(4-ETHOXYBENZENESULFONYL)-6-FLUOROQUINOLINE, F1608-0215, (3,4-dimethylphenyl)(4-((4-ethoxyphenyl)sulfonyl)-6-fluoroquinolin-3-yl)methanone
| Molecular Formula | C26H22FNO4S |
|---|---|
| Molecular Weight | 463.13 g/mol |
| LogP | 5.45324 |
| Topological Polar Surface Area | 73.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.12537 |
| Heavy Atoms | 33 |
| Complexity | 1478.6965 |
Chemical Identifiers
| CAS Number | 899760-10-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)S(=O)(=O)C2=C3C=C(C=CC3=NC=C2C(=O)C4=CC(=C(C=C4)C)C)F |
Product Overview
3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline (CAS 899760-10-2), with molecular formula C26H22FNO4S and molecular weight 463.13 g/mol. IUPAC: (3,4-dimethylphenyl)-[4-(4-ethoxyphenyl)sulfonyl-6-fluoroquinolin-3-yl]methanone.
Chemical Property Profile of 3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline
Property Insights of 3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline
The XLogP value of 5.45324 indicates that 3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline 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-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline. Following Lipinski's Rule of Five, 3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline 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-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline?
The CAS number of 3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline is 899760-10-2.
What is the molecular formula of 3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline?
The molecular formula of 3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline is C26H22FNO4S.
What is the molecular weight of 3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline?
The molecular weight of 3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline is 463.13 g/mol.
Where can I buy 3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline?
You can request a quote for 3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethylbenzoyl)-4-(4-ethoxybenzenesulfonyl)-6-fluoroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.