Sodium 3-sulfonatopropanoate
TL;DR: Sodium 3-sulfonatopropanoate (CAS 1496552-89-6) is a chemical compound with molecular formula C3H4Na2O5S and molecular weight 197.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-sulfonatopropanoate
Also Known As: 3-Sulfopropanoic acid, SODIUM 3-SULFONATOPROPANOATE, 3-Sulfopropanoate disodium, disodium;3-sulfonatopropanoate, disodium 3-sulfonatopropanoate
| Molecular Formula | C3H4Na2O5S |
|---|---|
| Molecular Weight | 197.96 g/mol |
| LogP | -8.3204 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.95749 |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 1496552-89-6 |
|---|---|
| SMILES | C(CS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| InChIKey | CQJFNXIUVONMEX-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium 3-sulfonatopropanoate (CAS 1496552-89-6), with molecular formula C3H4Na2O5S and molecular weight 197.96 g/mol. IUPAC: disodium;3-sulfonatopropanoate.
Chemical Property Profile of Sodium 3-sulfonatopropanoate
Property Insights of Sodium 3-sulfonatopropanoate
The XLogP value of -8.3204 indicates that Sodium 3-sulfonatopropanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 3-sulfonatopropanoate. Following Lipinski's Rule of Five, Sodium 3-sulfonatopropanoate has 0 hydrogen bond donor(s) and 5 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 3-sulfonatopropanoate?
The CAS number of Sodium 3-sulfonatopropanoate is 1496552-89-6.
What is the molecular formula of Sodium 3-sulfonatopropanoate?
The molecular formula of Sodium 3-sulfonatopropanoate is C3H4Na2O5S.
What is the molecular weight of Sodium 3-sulfonatopropanoate?
The molecular weight of Sodium 3-sulfonatopropanoate is 197.96 g/mol.
Where can I buy Sodium 3-sulfonatopropanoate?
You can request a quote for Sodium 3-sulfonatopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 3-sulfonatopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 3-sulfonatopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.