3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one
TL;DR: 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one (CAS 904449-68-9) is a chemical compound with molecular formula C17H12ClFO5S and molecular weight 382.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one
Also Known As: VU0511298-1, 3-(3-chloro-4-fluorobenzenesulfonyl)-8-ethoxy-2H-chromen-2-one, 3-(3-chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one, F3165-0978, 3-((3-chloro-4-fluorophenyl)sulfonyl)-8-ethoxy-2H-chromen-2-one
| Molecular Formula | C17H12ClFO5S |
|---|---|
| Molecular Weight | 382.01 g/mol |
| LogP | 3.817 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.0078 |
| Heavy Atoms | 25 |
| Complexity | 1121.5767 |
Chemical Identifiers
| CAS Number | 904449-68-9 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1OC(=O)C(=C2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl |
Product Overview
3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one (CAS 904449-68-9), with molecular formula C17H12ClFO5S and molecular weight 382.01 g/mol. IUPAC: 3-(3-chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one.
Chemical Property Profile of 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one
Property Insights of 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one
The XLogP value of 3.817 indicates that 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one. Following Lipinski's Rule of Five, 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one has 0 hydrogen bond donor(s) and 5 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-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one?
The CAS number of 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one is 904449-68-9.
What is the molecular formula of 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one?
The molecular formula of 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one is C17H12ClFO5S.
What is the molecular weight of 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one?
The molecular weight of 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one is 382.01 g/mol.
Where can I buy 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one?
You can request a quote for 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-4-fluorophenyl)sulfonyl-8-ethoxychromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.