4-Chloro-benzenesulfonic acid phenyl ester
TL;DR: 4-Chloro-benzenesulfonic acid phenyl ester (CAS 28217-57-4) is a chemical compound with molecular formula C12H9ClO3S and molecular weight 268.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-chlorobenzenesulfonate
Also Known As: phenyl 4-chlorobenzenesulfonate, Phenyl p-chloro-benzene sulfonate, phenyl p-chlorobenzene-sulfonate, PHENYL 4-CHLOROBENZENE-1-SULFONATE, 4-chlorobenzolsulfonsaeure-phenylester
| Molecular Formula | C12H9ClO3S |
|---|---|
| Molecular Weight | 268.00 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.9961 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 28217-57-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | FQIJSBUGQPNMQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-benzenesulfonic acid phenyl ester (CAS 28217-57-4), with molecular formula C12H9ClO3S and molecular weight 268.00 g/mol. IUPAC: phenyl 4-chlorobenzenesulfonate.
Chemical Property Profile of 4-Chloro-benzenesulfonic acid phenyl ester
Property Insights of 4-Chloro-benzenesulfonic acid phenyl ester
The XLogP value of 3.7 indicates that 4-Chloro-benzenesulfonic acid phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Chloro-benzenesulfonic acid phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-benzenesulfonic acid phenyl ester has 0 hydrogen bond donor(s) and 3 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 phenyl ester?
The CAS number of 4-Chloro-benzenesulfonic acid phenyl ester is 28217-57-4.
What is the molecular formula of 4-Chloro-benzenesulfonic acid phenyl ester?
The molecular formula of 4-Chloro-benzenesulfonic acid phenyl ester is C12H9ClO3S.
What is the molecular weight of 4-Chloro-benzenesulfonic acid phenyl ester?
The molecular weight of 4-Chloro-benzenesulfonic acid phenyl ester is 268.00 g/mol.
Where can I buy 4-Chloro-benzenesulfonic acid phenyl ester?
You can request a quote for 4-Chloro-benzenesulfonic acid 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 phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-benzenesulfonic acid phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.