3,5-Octanedione
TL;DR: 3,5-Octanedione (CAS 6320-18-9) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octane-3,5-dione
Also Known As: Octane-3,5-dione, 3,5-Octanedione, 5-octanedione, 3,5-octandione, 228-671-7
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 6320-18-9 |
|---|---|
| SMILES | CCCC(=O)CC(=O)CC |
| InChIKey | PJEPOHXMGDEIMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Octanedione (CAS 6320-18-9), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: octane-3,5-dione.
Chemical Property Profile of 3,5-Octanedione
Property Insights of 3,5-Octanedione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Octanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 3,5-Octanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Octanedione has 0 hydrogen bond donor(s) and 2 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 3,5-Octanedione?
The CAS number of 3,5-Octanedione is 6320-18-9.
What is the molecular formula of 3,5-Octanedione?
The molecular formula of 3,5-Octanedione is C8H14O2.
What is the molecular weight of 3,5-Octanedione?
The molecular weight of 3,5-Octanedione is 142.10 g/mol.
Where can I buy 3,5-Octanedione?
You can request a quote for 3,5-Octanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Octanedione?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Octanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.