Decane-3,5-dione
TL;DR: Decane-3,5-dione (CAS 58710-49-9) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decane-3,5-dione
Also Known As: decane-3,5-dione, 3,5-Decanedione, 1,4,6,9-TETRACHLOROPHENOTHIAZINE-2-CARBONITRILE
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 58710-49-9 |
|---|---|
| SMILES | CCCCCC(=O)CC(=O)CC |
| InChIKey | NUOXSJGIRWCWNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decane-3,5-dione (CAS 58710-49-9), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: decane-3,5-dione.
Chemical Property Profile of Decane-3,5-dione
Property Insights of Decane-3,5-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Decane-3,5-dione. With a topological polar surface area (TPSA) of 34.1 Ų, Decane-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decane-3,5-dione 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 Decane-3,5-dione?
The CAS number of Decane-3,5-dione is 58710-49-9.
What is the molecular formula of Decane-3,5-dione?
The molecular formula of Decane-3,5-dione is C10H18O2.
What is the molecular weight of Decane-3,5-dione?
The molecular weight of Decane-3,5-dione is 170.13 g/mol.
Where can I buy Decane-3,5-dione?
You can request a quote for Decane-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decane-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for Decane-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.