Ethyl 2-methylene-4-oxopentanoate
TL;DR: Ethyl 2-methylene-4-oxopentanoate (CAS 106058-83-7) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylidene-4-oxopentanoate
Also Known As: ethyl 2-methylene-4-oxopentanoate, ethyl 2-methylidene-4-oxopentanoate, pentanoic acid, 2-methylene-4-oxo-, ethyl ester, InChI=1/C8H12O3/c1-4-11-8(10)6(2)5-7(3)9/h2,4-5H2,1,3H
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 106058-83-7 |
|---|---|
| SMILES | CCOC(=O)C(=C)CC(=O)C |
| InChIKey | FMYJZWPDDWGBQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-methylene-4-oxopentanoate (CAS 106058-83-7), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: ethyl 2-methylidene-4-oxopentanoate.
Chemical Property Profile of Ethyl 2-methylene-4-oxopentanoate
Property Insights of Ethyl 2-methylene-4-oxopentanoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methylene-4-oxopentanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-methylene-4-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methylene-4-oxopentanoate 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 Ethyl 2-methylene-4-oxopentanoate?
The CAS number of Ethyl 2-methylene-4-oxopentanoate is 106058-83-7.
What is the molecular formula of Ethyl 2-methylene-4-oxopentanoate?
The molecular formula of Ethyl 2-methylene-4-oxopentanoate is C8H12O3.
What is the molecular weight of Ethyl 2-methylene-4-oxopentanoate?
The molecular weight of Ethyl 2-methylene-4-oxopentanoate is 156.08 g/mol.
Where can I buy Ethyl 2-methylene-4-oxopentanoate?
You can request a quote for Ethyl 2-methylene-4-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methylene-4-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methylene-4-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.