2-Oxopropane-1,3-disulphonic acid
TL;DR: 2-Oxopropane-1,3-disulphonic acid (CAS 690-78-8) is a chemical compound with molecular formula C3H6O7S2 and molecular weight 217.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxopropane-1,3-disulfonic acid
Also Known As: 2-oxopropane-1,3-disulfonic acid, Acetonedisulfonic acid, acetone disulfonic acid, 2-Oxopropane-1,3-disulphonic acid, 2-oxo-1,3-propanedisulfonic acid
| Molecular Formula | C3H6O7S2 |
|---|---|
| Molecular Weight | 217.96 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.95549 |
| Heavy Atoms | 12 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 690-78-8 |
|---|---|
| SMILES | C(C(=O)CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | BFSIDIWZBQSIHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxopropane-1,3-disulphonic acid (CAS 690-78-8), with molecular formula C3H6O7S2 and molecular weight 217.96 g/mol. IUPAC: 2-oxopropane-1,3-disulfonic acid.
Chemical Property Profile of 2-Oxopropane-1,3-disulphonic acid
Property Insights of 2-Oxopropane-1,3-disulphonic acid
The XLogP value of -2.2 indicates that 2-Oxopropane-1,3-disulphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting 2-Oxopropane-1,3-disulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Oxopropane-1,3-disulphonic acid has 2 hydrogen bond donor(s) and 7 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 2-Oxopropane-1,3-disulphonic acid?
The CAS number of 2-Oxopropane-1,3-disulphonic acid is 690-78-8.
What is the molecular formula of 2-Oxopropane-1,3-disulphonic acid?
The molecular formula of 2-Oxopropane-1,3-disulphonic acid is C3H6O7S2.
What is the molecular weight of 2-Oxopropane-1,3-disulphonic acid?
The molecular weight of 2-Oxopropane-1,3-disulphonic acid is 217.96 g/mol.
Where can I buy 2-Oxopropane-1,3-disulphonic acid?
You can request a quote for 2-Oxopropane-1,3-disulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxopropane-1,3-disulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxopropane-1,3-disulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.