Hedione
TL;DR: Hedione (CAS 24851-98-7) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
Also Known As: Methyl dihydrojasmonate, Hedione, Kharismal, methyl 2-(3-oxo-2-pentylcyclopentyl)acetate, Cepionate
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
| Density | 0.997-1.008 (20°) |
| Solubility | Soluble in oils; very slightly soluble in water |
| Refractive Index | 1.454-1.464 |
Chemical Identifiers
| CAS Number | 24851-98-7 |
|---|---|
| SMILES | CCCCCC1C(CCC1=O)CC(=O)OC |
| InChIKey | KVWWIYGFBYDJQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hedione (CAS 24851-98-7), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: methyl 2-(3-oxo-2-pentylcyclopentyl)acetate.
Chemical Property Profile of Hedione
Property Insights of Hedione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hedione. With a topological polar surface area (TPSA) of 43.4 Ų, Hedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hedione has 0 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 Hedione?
The CAS number of Hedione is 24851-98-7.
What is the molecular formula of Hedione?
The molecular formula of Hedione is C13H22O3.
What is the molecular weight of Hedione?
The molecular weight of Hedione is 226.16 g/mol.
Where can I buy Hedione?
You can request a quote for Hedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hedione?
Yes, KEHONG BIO provides custom synthesis services for Hedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.