Pentaerythritol, dibenzenesulfonate
TL;DR: Pentaerythritol, dibenzenesulfonate (CAS 2572-59-0) is a chemical compound with molecular formula C17H20O8S2 and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzenesulfonyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzenesulfonate
Also Known As: Pentaerythritol, dibenzenesulfonate, 1,3-Propanediol, 2,2-bis(hydroxymethyl)-, dibenzenesulfonate, 2,2-bis(hydroxymethyl)propane-1,3-diyl dibenzenesulfonate, [2-(benzenesulfonyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzenesulfonate, BRN 2399264
| Molecular Formula | C17H20O8S2 |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 416.05997 |
| Heavy Atoms | 27 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 2572-59-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OCC(CO)(CO)COS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | QQBPWEUZTBTTFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythritol, dibenzenesulfonate (CAS 2572-59-0), with molecular formula C17H20O8S2 and molecular weight 416.06 g/mol. IUPAC: [2-(benzenesulfonyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzenesulfonate.
Chemical Property Profile of Pentaerythritol, dibenzenesulfonate
Property Insights of Pentaerythritol, dibenzenesulfonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentaerythritol, dibenzenesulfonate. The TPSA of 144.0 Ų indicates high polarity, suggesting Pentaerythritol, dibenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentaerythritol, dibenzenesulfonate has 2 hydrogen bond donor(s) and 8 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 Pentaerythritol, dibenzenesulfonate?
The CAS number of Pentaerythritol, dibenzenesulfonate is 2572-59-0.
What is the molecular formula of Pentaerythritol, dibenzenesulfonate?
The molecular formula of Pentaerythritol, dibenzenesulfonate is C17H20O8S2.
What is the molecular weight of Pentaerythritol, dibenzenesulfonate?
The molecular weight of Pentaerythritol, dibenzenesulfonate is 416.06 g/mol.
Where can I buy Pentaerythritol, dibenzenesulfonate?
You can request a quote for Pentaerythritol, dibenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol, dibenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol, dibenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.