beta-Ketoadipic acid
TL;DR: beta-Ketoadipic acid (CAS 689-31-6) is a chemical compound with molecular formula C6H8O5 and molecular weight 160.03717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-oxohexanedioic acid
Also Known As: 3-Oxoadipic acid, 3-oxohexanedioic acid, beta-ketoadipate, 3-Ketoadipic, BETA-KETOADIPIC ACID
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8O5 |
| Molecular Weight | 160.03717 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.03717 Da |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
| Melting Point | 124 - 126 °C |
| SMILES | C(CC(=O)O)C(=O)CC(=O)O |
| InChIKey | RTGHRDFWYQHVFW-UHFFFAOYSA-N |
Product Description
Applications: beta-Ketoadipic acid is used in biotechnology workflows and life-science research, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies beta-Ketoadipic acid (CAS 689-31-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A biotechnology compound supplied by CoreyChem, beta-Ketoadipic acid (CAS 689-31-6) has the molecular formula C6H8O5 and a molecular weight of 160.04 g/mol. It is also known as 3-Oxoadipic acid and 3-oxohexanedioic acid.
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 beta-Ketoadipic acid
Property Insights of beta-Ketoadipic acid
The XLogP value of -0.9 indicates that beta-Ketoadipic 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 beta-Ketoadipic acid. Following Lipinski's Rule of Five, beta-Ketoadipic 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 beta-Ketoadipic acid?
The CAS number of beta-Ketoadipic acid is 689-31-6.
What is the molecular formula of beta-Ketoadipic acid?
The molecular formula of beta-Ketoadipic acid is C6H8O5.
What is the molecular weight of beta-Ketoadipic acid?
The molecular weight of beta-Ketoadipic acid is 160.03717 g/mol.
What are the applications of beta-Ketoadipic acid?
beta-Ketoadipic acid is used in biotechnology workflows and life-science research, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies beta-Ketoadipic acid (CAS 689-31-6)...
Where can I buy beta-Ketoadipic acid?
You can request a quote for beta-Ketoadipic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Ketoadipic acid?
Yes, CoreyChem provides custom synthesis services for beta-Ketoadipic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.