3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline
TL;DR: 3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline (CAS 866846-30-2) is a chemical compound with molecular formula C22H13ClFNO3S and molecular weight 425.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-3-yl]-phenylmethanone
Also Known As: 3-BENZOYL-4-(4-CHLOROBENZENESULFONYL)-6-FLUOROQUINOLINE, F1605-1151, (4-((4-chlorophenyl)sulfonyl)-6-fluoroquinolin-3-yl)(phenyl)methanone, [4-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-3-yl]-phenylmethanone
| Molecular Formula | C22H13ClFNO3S |
|---|---|
| Molecular Weight | 425.03 g/mol |
| LogP | 5.0911 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.02887 |
| Heavy Atoms | 29 |
| Complexity | 1338.1158 |
Chemical Identifiers
| CAS Number | 866846-30-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CN=C3C=CC(=CC3=C2S(=O)(=O)C4=CC=C(C=C4)Cl)F |
Product Overview
3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline (CAS 866846-30-2), with molecular formula C22H13ClFNO3S and molecular weight 425.03 g/mol. IUPAC: [4-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-3-yl]-phenylmethanone.
Chemical Property Profile of 3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline
Property Insights of 3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline
The XLogP value of 5.0911 indicates that 3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline. Following Lipinski's Rule of Five, 3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline has 0 hydrogen bond donor(s) and 4 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-chlorobenzenesulfonyl)-6-fluoroquinoline?
The CAS number of 3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline is 866846-30-2.
What is the molecular formula of 3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline?
The molecular formula of 3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline is C22H13ClFNO3S.
What is the molecular weight of 3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline?
The molecular weight of 3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline is 425.03 g/mol.
Where can I buy 3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline?
You can request a quote for 3-Benzoyl-4-(4-chlorobenzenesulfonyl)-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-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-4-(4-chlorobenzenesulfonyl)-6-fluoroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.