Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate
TL;DR: Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate (CAS 39924-52-2) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate
Also Known As: Methyl jasmonate, MethylEJasmonate, Methyl dl-jasmonate, Methyl epi-jasmonate, methyl (Z)-jasmonate
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 39924-52-2 |
|---|---|
| SMILES | CCC=CCC1C(CCC1=O)CC(=O)OC |
| InChIKey | GEWDNTWNSAZUDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate (CAS 39924-52-2), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: methyl 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate.
Chemical Property Profile of Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate
Property Insights of Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate 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 Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate?
The CAS number of Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate is 39924-52-2.
What is the molecular formula of Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate?
The molecular formula of Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate is C13H20O3.
What is the molecular weight of Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate?
The molecular weight of Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate is 224.14 g/mol.
Where can I buy Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate?
You can request a quote for Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.