Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester
TL;DR: Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester (CAS 13631-44-2) is a chemical compound with molecular formula C12H7Cl3O3S and molecular weight 335.91815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,5-dichlorophenyl) 4-chlorobenzenesulfonate
Also Known As: Maybridge1_002814, DivK1c_001566, CDS1_000526, (3,5-dichlorophenyl) 4-chlorobenzenesulfonate, 3,5-dichlorophenyl 4-chlorobenzene-1-sulfonate
Technical Specifications
| Molecular Formula | C12H7Cl3O3S |
| Molecular Weight | 335.91815 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.91815 Da |
| Heavy Atoms | 19 |
| Complexity | 378.0 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)OC2=CC(=CC(=C2)Cl)Cl)Cl |
| InChIKey | FODOFUZTIQMLKL-UHFFFAOYSA-N |
Chemical Property Profile of Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester
Property Insights of Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester
The XLogP value of 4.9 indicates that Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl 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, Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl 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
What is the CAS number of Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester?
The CAS number of Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester is 13631-44-2.
What is the molecular formula of Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester?
The molecular formula of Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester is C12H7Cl3O3S.
What is the molecular weight of Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester?
The molecular weight of Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester is 335.91815 g/mol.
Where can I buy Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester?
You can request a quote for Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester?
Yes, CoreyChem provides custom synthesis services for Benzenesulfonic acid, 4-chloro-, 3,5-dichlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.