过氧琥珀酸单酸
TL;DR: 过氧琥珀酸单酸 (CAS 3504-13-0) is a chemical compound with molecular formula C4H6O5 and molecular weight 134.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
过氧琥珀酸单酸
4-hydroperoxy-4-oxobutanoic acid
Also Known As: Monoperoxysuccinic acid, monoperoxysuccinicacid, 4-hydroperoxy-4-oxobutanoic acid, propaneperoxoic acid, 3-carboxy-, 3-Carboxypropaneperoxoic acid
| Molecular Formula | C4H6O5 |
|---|---|
| Molecular Weight | 134.02 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.02153 |
| Heavy Atoms | 9 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 3504-13-0 |
|---|---|
| SMILES | C(CC(=O)OO)C(=O)O |
| InChIKey | WBOQHFMXKCEWSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
过氧琥珀酸单酸 (CAS 3504-13-0), with molecular formula C4H6O5 and molecular weight 134.02 g/mol. IUPAC: 4-hydroperoxy-4-oxobutanoic acid.
Chemical Property Profile of 过氧琥珀酸单酸
Property Insights of 过氧琥珀酸单酸
The XLogP value of -0.9 indicates that 过氧琥珀酸单酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 过氧琥珀酸单酸. Following Lipinski's Rule of Five, 过氧琥珀酸单酸 has 2 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 过氧琥珀酸单酸?
The CAS number of 过氧琥珀酸单酸 is 3504-13-0.
What is the molecular formula of 过氧琥珀酸单酸?
The molecular formula of 过氧琥珀酸单酸 is C4H6O5.
What is the molecular weight of 过氧琥珀酸单酸?
The molecular weight of 过氧琥珀酸单酸 is 134.02 g/mol.
Where can I buy 过氧琥珀酸单酸?
You can request a quote for 过氧琥珀酸单酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 过氧琥珀酸单酸?
Yes, KEHONG BIO provides custom synthesis services for 过氧琥珀酸单酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.