7-Hydroxy-2,4-heptanedione
TL;DR: 7-Hydroxy-2,4-heptanedione (CAS 57245-94-0) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxyheptane-2,4-dione
Also Known As: 7-Hydroxy-2,4-heptanedione, 7-hydroxyheptane-2,4-dione, 4,6-Diketo-1-heptanol, 7-Hydroxy-heptan-2,4-dion, 7-Hydroxy-2,4-heptanedione #
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 57245-94-0 |
|---|---|
| SMILES | CC(=O)CC(=O)CCCO |
| InChIKey | PVOGAQUJPPPZRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Hydroxy-2,4-heptanedione (CAS 57245-94-0), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 7-hydroxyheptane-2,4-dione.
Chemical Property Profile of 7-Hydroxy-2,4-heptanedione
Property Insights of 7-Hydroxy-2,4-heptanedione
The XLogP value of -0.6 indicates that 7-Hydroxy-2,4-heptanedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.4 Ų, 7-Hydroxy-2,4-heptanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Hydroxy-2,4-heptanedione has 1 hydrogen bond donor(s) and 3 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 7-Hydroxy-2,4-heptanedione?
The CAS number of 7-Hydroxy-2,4-heptanedione is 57245-94-0.
What is the molecular formula of 7-Hydroxy-2,4-heptanedione?
The molecular formula of 7-Hydroxy-2,4-heptanedione is C7H12O3.
What is the molecular weight of 7-Hydroxy-2,4-heptanedione?
The molecular weight of 7-Hydroxy-2,4-heptanedione is 144.08 g/mol.
Where can I buy 7-Hydroxy-2,4-heptanedione?
You can request a quote for 7-Hydroxy-2,4-heptanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxy-2,4-heptanedione?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxy-2,4-heptanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.