2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid
TL;DR: 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid (CAS 28345-81-5) is a chemical compound with molecular formula C7H6O6 and molecular weight 186.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethenyl)-4-oxopent-2-enedioic acid
Also Known As: 2-(2-hydroxyethenyl)-4-oxopent-2-enedioic acid, 4-Carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde
| Molecular Formula | C7H6O6 |
|---|---|
| Molecular Weight | 186.02 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.01643 |
| Heavy Atoms | 13 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 28345-81-5 |
|---|---|
| SMILES | C(=CO)C(=CC(=O)C(=O)O)C(=O)O |
| InChIKey | QZWBTDVXBPUISR-UHFFFAOYSA-N |
Product Overview
2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid (CAS 28345-81-5), with molecular formula C7H6O6 and molecular weight 186.02 g/mol. IUPAC: 2-(2-hydroxyethenyl)-4-oxopent-2-enedioic acid.
Chemical Property Profile of 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid
Property Insights of 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid
The XLogP value of -0.5 indicates that 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid. Following Lipinski's Rule of Five, 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid has 3 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 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid?
The CAS number of 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid is 28345-81-5.
What is the molecular formula of 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid?
The molecular formula of 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid is C7H6O6.
What is the molecular weight of 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid?
The molecular weight of 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid is 186.02 g/mol.
Where can I buy 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid?
You can request a quote for 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Hydroxyethenyl)-4-oxopent-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.