![[4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate structure](/static/products/3314/331460-94-7.webp)
[4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate
TL;DR: [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate (CAS 331460-94-7) is a chemical compound with molecular formula C21H14ClFO4S and molecular weight 416.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate
Also Known As: [4-[3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate, 3-[4-(4-chlorophenyl)sulfonyloxyphenyl]-1-(4-fluorophenyl)prop-2-en-1-one, 4-[3-(4-fluorophenyl)-3-oxo-1-propenyl]phenyl 4-chlorobenzenesulfonate
| Molecular Formula | C21H14ClFO4S |
|---|---|
| Molecular Weight | 416.03 g/mol |
| LogP | 5.1429 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.02853 |
| Heavy Atoms | 28 |
| Complexity | 1104.577 |
Chemical Identifiers
| CAS Number | 331460-94-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)F)OS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
[4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate (CAS 331460-94-7), with molecular formula C21H14ClFO4S and molecular weight 416.03 g/mol. IUPAC: [4-[3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate.
Chemical Property Profile of [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate
Property Insights of [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate
The XLogP value of 5.1429 indicates that [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate. Following Lipinski's Rule of Five, [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate 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 [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate?
The CAS number of [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate is 331460-94-7.
What is the molecular formula of [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate?
The molecular formula of [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate is C21H14ClFO4S.
What is the molecular weight of [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate?
The molecular weight of [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate is 416.03 g/mol.
Where can I buy [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate?
You can request a quote for [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [4-[3-(4-Fluorophenyl)-3-oxoprop-1-enyl]phenyl] 4-chlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.