3,4-Dichlorobenzenesulfonic acid, phenyl ester
TL;DR: 3,4-Dichlorobenzenesulfonic acid, phenyl ester (CAS 83583-38-4) is a chemical compound with molecular formula C12H8Cl2O3S and molecular weight 301.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3,4-dichlorobenzenesulfonate
Also Known As: 3, PHENYL ESTER, phenyl 3,4-dichlorobenzenesulfonate, Phenyl 3,4-dichlorobenzene-1-sulfonate, 3,4-DICHLOROBENZENESULFONIC ACID, PHENYL ESTER, 2,4-dichloro-1-(2,4-dichlorophenyl)benzene
| Molecular Formula | C12H8Cl2O3S |
|---|---|
| Molecular Weight | 301.96 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.95712 |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 83583-38-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl |
| InChIKey | IZYLSSOJIOHVPH-UHFFFAOYSA-N |
Product Overview
3,4-Dichlorobenzenesulfonic acid, phenyl ester (CAS 83583-38-4), with molecular formula C12H8Cl2O3S and molecular weight 301.96 g/mol. IUPAC: phenyl 3,4-dichlorobenzenesulfonate.
Chemical Property Profile of 3,4-Dichlorobenzenesulfonic acid, phenyl ester
Property Insights of 3,4-Dichlorobenzenesulfonic acid, phenyl ester
The XLogP value of 4.3 indicates that 3,4-Dichlorobenzenesulfonic 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, 3,4-Dichlorobenzenesulfonic acid, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorobenzenesulfonic 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 3,4-Dichlorobenzenesulfonic acid, phenyl ester?
The CAS number of 3,4-Dichlorobenzenesulfonic acid, phenyl ester is 83583-38-4.
What is the molecular formula of 3,4-Dichlorobenzenesulfonic acid, phenyl ester?
The molecular formula of 3,4-Dichlorobenzenesulfonic acid, phenyl ester is C12H8Cl2O3S.
What is the molecular weight of 3,4-Dichlorobenzenesulfonic acid, phenyl ester?
The molecular weight of 3,4-Dichlorobenzenesulfonic acid, phenyl ester is 301.96 g/mol.
Where can I buy 3,4-Dichlorobenzenesulfonic acid, phenyl ester?
You can request a quote for 3,4-Dichlorobenzenesulfonic 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 3,4-Dichlorobenzenesulfonic acid, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorobenzenesulfonic acid, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.