2,4-Dioxohept-5-enedioic acid
TL;DR: 2,4-Dioxohept-5-enedioic acid (CAS 140866-22-4) 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.
(2Z,5E)-2-hydroxy-4-oxohepta-2,5-dienedioic acid
Also Known As: Fumarylpyruvate, 2,4-Dioxohept-5-enedioic acid, 2-hydroxy-4-oxohepta-2,5-dienedioic acid, (2Z,5E)-2-hydroxy-4-oxohepta-2,5-dienedioic acid, (Z,E)-4-Hydroxy-6-oxo-2,4-heptadienedioic acid
| Molecular Formula | C7H6O6 |
|---|---|
| Molecular Weight | 186.02 g/mol |
| LogP | -0.2772 |
| Topological Polar Surface Area | 111.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.01643 |
| Heavy Atoms | 13 |
| Complexity | 298.1046 |
Chemical Identifiers
| CAS Number | 140866-22-4 |
|---|---|
| SMILES | C(=C/C(=O)O)\C(=O)/C=C(/C(=O)O)\O |
Product Overview
2,4-Dioxohept-5-enedioic acid (CAS 140866-22-4), with molecular formula C7H6O6 and molecular weight 186.02 g/mol. IUPAC: (2Z,5E)-2-hydroxy-4-oxohepta-2,5-dienedioic acid.
Chemical Property Profile of 2,4-Dioxohept-5-enedioic acid
Property Insights of 2,4-Dioxohept-5-enedioic acid
The XLogP value of -0.2772 indicates that 2,4-Dioxohept-5-enedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dioxohept-5-enedioic acid. Following Lipinski's Rule of Five, 2,4-Dioxohept-5-enedioic acid has 3 hydrogen bond donor(s) and 4 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 2,4-Dioxohept-5-enedioic acid?
The CAS number of 2,4-Dioxohept-5-enedioic acid is 140866-22-4.
What is the molecular formula of 2,4-Dioxohept-5-enedioic acid?
The molecular formula of 2,4-Dioxohept-5-enedioic acid is C7H6O6.
What is the molecular weight of 2,4-Dioxohept-5-enedioic acid?
The molecular weight of 2,4-Dioxohept-5-enedioic acid is 186.02 g/mol.
Where can I buy 2,4-Dioxohept-5-enedioic acid?
You can request a quote for 2,4-Dioxohept-5-enedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dioxohept-5-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dioxohept-5-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.