5-Oxo-2-hexenedioic acid
TL;DR: 5-Oxo-2-hexenedioic acid (CAS 31540-68-8) is a chemical compound with molecular formula C6H6O5 and molecular weight 158.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxohex-2-enedioic acid
Also Known As: Oxalocrotonate, 4-oxalocrotonic acid, 5-oxohex-2-enedioic acid, 5-Oxo-2-hexenedioic acid, 5-Oxo-hex-2-endisaeure
| Molecular Formula | C6H6O5 |
|---|---|
| Molecular Weight | 158.02 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.02153 |
| Heavy Atoms | 11 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 31540-68-8 |
|---|---|
| SMILES | C(C=CC(=O)O)C(=O)C(=O)O |
| InChIKey | OOEDHTCVMHDXRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Oxo-2-hexenedioic acid (CAS 31540-68-8), with molecular formula C6H6O5 and molecular weight 158.02 g/mol. IUPAC: 5-oxohex-2-enedioic acid.
Chemical Property Profile of 5-Oxo-2-hexenedioic acid
Property Insights of 5-Oxo-2-hexenedioic acid
The XLogP value of -0.4 indicates that 5-Oxo-2-hexenedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Oxo-2-hexenedioic acid. Following Lipinski's Rule of Five, 5-Oxo-2-hexenedioic acid 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 5-Oxo-2-hexenedioic acid?
The CAS number of 5-Oxo-2-hexenedioic acid is 31540-68-8.
What is the molecular formula of 5-Oxo-2-hexenedioic acid?
The molecular formula of 5-Oxo-2-hexenedioic acid is C6H6O5.
What is the molecular weight of 5-Oxo-2-hexenedioic acid?
The molecular weight of 5-Oxo-2-hexenedioic acid is 158.02 g/mol.
Where can I buy 5-Oxo-2-hexenedioic acid?
You can request a quote for 5-Oxo-2-hexenedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Oxo-2-hexenedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxo-2-hexenedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.