3,6-endo-Oxohexahydrophthalic acid
TL;DR: 3,6-endo-Oxohexahydrophthalic acid (CAS 145-73-3) is a chemical compound with molecular formula C8H10O5 and molecular weight 186.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Also Known As: endothall, Endothal, Aquathol, Hydout, Hydrothol
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O5 |
| Molecular Weight | 186.05283 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.05283 Da |
| Heavy Atoms | 13 |
| Complexity | 235.0 |
| SMILES | C1CC2C(C(C1O2)C(=O)O)C(=O)O |
| InChIKey | GXEKYRXVRROBEV-UHFFFAOYSA-N |
Product Description
Applications: 3,6-endo-Oxohexahydrophthalic acid is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A agrochemical intermediate supplied by CoreyChem, 3,6-endo-Oxohexahydrophthalic acid (CAS 145-73-3) has the molecular formula C8H10O5 and a molecular weight of 186.05 g/mol. Synonyms include endothall and Endothal.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3,6-endo-Oxohexahydrophthalic acid
Property Insights of 3,6-endo-Oxohexahydrophthalic acid
The XLogP value of -0.5 indicates that 3,6-endo-Oxohexahydrophthalic acid 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 3,6-endo-Oxohexahydrophthalic acid. Following Lipinski's Rule of Five, 3,6-endo-Oxohexahydrophthalic 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
What is the CAS number of 3,6-endo-Oxohexahydrophthalic acid?
The CAS number of 3,6-endo-Oxohexahydrophthalic acid is 145-73-3.
What is the molecular formula of 3,6-endo-Oxohexahydrophthalic acid?
The molecular formula of 3,6-endo-Oxohexahydrophthalic acid is C8H10O5.
What is the molecular weight of 3,6-endo-Oxohexahydrophthalic acid?
The molecular weight of 3,6-endo-Oxohexahydrophthalic acid is 186.05283 g/mol.
What are the applications of 3,6-endo-Oxohexahydrophthalic acid?
3,6-endo-Oxohexahydrophthalic acid is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from...
Where can I buy 3,6-endo-Oxohexahydrophthalic acid?
You can request a quote for 3,6-endo-Oxohexahydrophthalic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,6-endo-Oxohexahydrophthalic acid?
Yes, CoreyChem provides custom synthesis services for 3,6-endo-Oxohexahydrophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.