4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester
TL;DR: 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester (CAS 64101-68-4) is a chemical compound with molecular formula C14H11ClO4S and molecular weight 310.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetylphenyl) 4-chlorobenzenesulfonate
Also Known As: 4-acetylphenyl 4-chlorobenzenesulfonate, (4-acetylphenyl) 4-chlorobenzenesulfonate, 4-acetylphenyl 4-chlorobenzene-1-sulfonate, Benzenesulfonic acid, 4-chloro-, 4-acetylphenyl ester, 4-CHLORO-BENZENESULFONIC ACID 4-ACETYL-PHENYL ESTER
| Molecular Formula | C14H11ClO4S |
|---|---|
| Molecular Weight | 310.01 g/mol |
| LogP | 3.3103 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.00665 |
| Heavy Atoms | 20 |
| Complexity | 718.7742 |
Chemical Identifiers
| CAS Number | 64101-68-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester (CAS 64101-68-4), with molecular formula C14H11ClO4S and molecular weight 310.01 g/mol. IUPAC: (4-acetylphenyl) 4-chlorobenzenesulfonate.
Chemical Property Profile of 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester
Property Insights of 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester
The XLogP value of 3.3103 indicates that 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester 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-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester. Following Lipinski's Rule of Five, 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester has 0 hydrogen bond donor(s) and 4 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 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester?
The CAS number of 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester is 64101-68-4.
What is the molecular formula of 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester?
The molecular formula of 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester is C14H11ClO4S.
What is the molecular weight of 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester?
The molecular weight of 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester is 310.01 g/mol.
Where can I buy 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester?
You can request a quote for 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-benzenesulfonic acid 4-acetyl-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.