Β-酮己二酸
TL;DR: Β-酮己二酸 (CAS 689-31-6) is a chemical compound with molecular formula C6H8O5 and molecular weight 160.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Β-酮己二酸
3-oxohexanedioic acid
Also Known As: 3-Oxoadipic acid, 3-oxohexanedioic acid, beta-ketoadipate, 3-Ketoadipic, BETA-KETOADIPIC ACID
| Molecular Formula | C6H8O5 |
|---|---|
| Molecular Weight | 160.04 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.03717 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
| Melting Point | 124 - 126 °C |
Chemical Identifiers
| CAS Number | 689-31-6 |
|---|---|
| SMILES | C(CC(=O)O)C(=O)CC(=O)O |
| InChIKey | RTGHRDFWYQHVFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Β-酮己二酸 (CAS 689-31-6), with molecular formula C6H8O5 and molecular weight 160.04 g/mol. IUPAC: 3-oxohexanedioic acid.
Chemical Property Profile of Β-酮己二酸
Property Insights of Β-酮己二酸
The XLogP value of -0.9 indicates that Β-酮己二酸 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 Β-酮己二酸. Following Lipinski's Rule of Five, Β-酮己二酸 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
Frequently Asked Questions
What is the CAS number of Β-酮己二酸?
The CAS number of Β-酮己二酸 is 689-31-6.
What is the molecular formula of Β-酮己二酸?
The molecular formula of Β-酮己二酸 is C6H8O5.
What is the molecular weight of Β-酮己二酸?
The molecular weight of Β-酮己二酸 is 160.04 g/mol.
Where can I buy Β-酮己二酸?
You can request a quote for Β-酮己二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Β-酮己二酸?
Yes, KEHONG BIO provides custom synthesis services for Β-酮己二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.