3-磺基丙酮酸
TL;DR: 3-磺基丙酮酸 (CAS 98022-26-5) is a chemical compound with molecular formula C3H4O6S and molecular weight 167.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-磺基丙酮酸
2-oxo-3-sulfopropanoic acid
Also Known As: sulfopyruvate, 3-Sulfopyruvic acid, 2-oxo-3-sulfopropanoic acid, beta-Sulfopyruvic acid, 3-Sulfopyruvate
| Molecular Formula | C3H4O6S |
|---|---|
| Molecular Weight | 167.97 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.97285 |
| Heavy Atoms | 10 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 98022-26-5 |
|---|---|
| SMILES | C(C(=O)C(=O)O)S(=O)(=O)O |
| InChIKey | BUTHMSUEBYPMKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-磺基丙酮酸 (CAS 98022-26-5), with molecular formula C3H4O6S and molecular weight 167.97 g/mol. IUPAC: 2-oxo-3-sulfopropanoic acid.
Chemical Property Profile of 3-磺基丙酮酸
Property Insights of 3-磺基丙酮酸
The XLogP value of -1.4 indicates that 3-磺基丙酮酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-磺基丙酮酸. Following Lipinski's Rule of Five, 3-磺基丙酮酸 has 2 hydrogen bond donor(s) and 6 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 3-磺基丙酮酸?
The CAS number of 3-磺基丙酮酸 is 98022-26-5.
What is the molecular formula of 3-磺基丙酮酸?
The molecular formula of 3-磺基丙酮酸 is C3H4O6S.
What is the molecular weight of 3-磺基丙酮酸?
The molecular weight of 3-磺基丙酮酸 is 167.97 g/mol.
Where can I buy 3-磺基丙酮酸?
You can request a quote for 3-磺基丙酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-磺基丙酮酸?
Yes, KEHONG BIO provides custom synthesis services for 3-磺基丙酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.