Sodium Picosulfate
TL;DR: Sodium Picosulfate (CAS 10040-45-6) is a chemical compound with molecular formula C18H13NNa2O8S2 and molecular weight 480.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;[4-[pyridin-2-yl-(4-sulfonatooxyphenyl)methyl]phenyl] sulfate
Also Known As: sodium picosulfate, Picosulfate sodium, Laxoberon, Neopax, Laxoberal
| Molecular Formula | C18H13NNa2O8S2 |
|---|---|
| Molecular Weight | 480.99 g/mol |
| LogP | -4.05 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.9878 |
| Heavy Atoms | 31 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 10040-45-6 |
|---|---|
| SMILES | C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)[O-])C3=CC=C(C=C3)OS(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | GOZDTZWAMGHLDY-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium Picosulfate (CAS 10040-45-6), with molecular formula C18H13NNa2O8S2 and molecular weight 480.99 g/mol. IUPAC: disodium;[4-[pyridin-2-yl-(4-sulfonatooxyphenyl)methyl]phenyl] sulfate.
Chemical Property Profile of Sodium Picosulfate
Property Insights of Sodium Picosulfate
The XLogP value of -4.05 indicates that Sodium Picosulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting Sodium Picosulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sodium Picosulfate has 0 hydrogen bond donor(s) and 9 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 Sodium Picosulfate?
The CAS number of Sodium Picosulfate is 10040-45-6.
What is the molecular formula of Sodium Picosulfate?
The molecular formula of Sodium Picosulfate is C18H13NNa2O8S2.
What is the molecular weight of Sodium Picosulfate?
The molecular weight of Sodium Picosulfate is 480.99 g/mol.
Where can I buy Sodium Picosulfate?
You can request a quote for Sodium Picosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium Picosulfate?
Yes, KEHONG BIO provides custom synthesis services for Sodium Picosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.