4,6-Dioxohept-2-enedioic acid
TL;DR: 4,6-Dioxohept-2-enedioic acid (CAS 75164-75-9) 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.
4,6-dioxohept-2-enedioic acid
Also Known As: Maleylpyruvate, 4,6-dioxohept-2-enedioic acid, 2-Heptenedioic acid, 4,6-dioxo-, (2Z)-, RefChem:935756
| Molecular Formula | C7H6O6 |
|---|---|
| Molecular Weight | 186.02 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.01643 |
| Heavy Atoms | 13 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 75164-75-9 |
|---|---|
| SMILES | C(C(=O)C=CC(=O)O)C(=O)C(=O)O |
| InChIKey | AZCFLHZUFANAOR-UHFFFAOYSA-N |
Product Overview
4,6-Dioxohept-2-enedioic acid (CAS 75164-75-9), with molecular formula C7H6O6 and molecular weight 186.02 g/mol. IUPAC: 4,6-dioxohept-2-enedioic acid.
Chemical Property Profile of 4,6-Dioxohept-2-enedioic acid
Property Insights of 4,6-Dioxohept-2-enedioic acid
The XLogP value of -0.7 indicates that 4,6-Dioxohept-2-enedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dioxohept-2-enedioic acid. Following Lipinski's Rule of Five, 4,6-Dioxohept-2-enedioic acid 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 4,6-Dioxohept-2-enedioic acid?
The CAS number of 4,6-Dioxohept-2-enedioic acid is 75164-75-9.
What is the molecular formula of 4,6-Dioxohept-2-enedioic acid?
The molecular formula of 4,6-Dioxohept-2-enedioic acid is C7H6O6.
What is the molecular weight of 4,6-Dioxohept-2-enedioic acid?
The molecular weight of 4,6-Dioxohept-2-enedioic acid is 186.02 g/mol.
Where can I buy 4,6-Dioxohept-2-enedioic acid?
You can request a quote for 4,6-Dioxohept-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 4,6-Dioxohept-2-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dioxohept-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.