3-(Ethoxymethylene)pentane-2,4-dione
TL;DR: 3-(Ethoxymethylene)pentane-2,4-dione (CAS 33884-41-2) 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.
3-(ethoxymethylidene)pentane-2,4-dione
Also Known As: 3-(ethoxymethylene)pentane-2,4-dione, 3-(ethoxymethylidene)pentane-2,4-dione, 3-(ethoxymethylene)-2,4-pentanedione, Ethoxymethylene acetylacetone, 3-Acetyl-4-ethoxy-3-buten-2-one
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 33884-41-2 |
|---|---|
| SMILES | CCOC=C(C(=O)C)C(=O)C |
| InChIKey | ITTXGKOHFZJUEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Ethoxymethylene)pentane-2,4-dione (CAS 33884-41-2), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: 3-(ethoxymethylidene)pentane-2,4-dione.
Chemical Property Profile of 3-(Ethoxymethylene)pentane-2,4-dione
Property Insights of 3-(Ethoxymethylene)pentane-2,4-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Ethoxymethylene)pentane-2,4-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 3-(Ethoxymethylene)pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Ethoxymethylene)pentane-2,4-dione 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 3-(Ethoxymethylene)pentane-2,4-dione?
The CAS number of 3-(Ethoxymethylene)pentane-2,4-dione is 33884-41-2.
What is the molecular formula of 3-(Ethoxymethylene)pentane-2,4-dione?
The molecular formula of 3-(Ethoxymethylene)pentane-2,4-dione is C8H12O3.
What is the molecular weight of 3-(Ethoxymethylene)pentane-2,4-dione?
The molecular weight of 3-(Ethoxymethylene)pentane-2,4-dione is 156.08 g/mol.
Where can I buy 3-(Ethoxymethylene)pentane-2,4-dione?
You can request a quote for 3-(Ethoxymethylene)pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Ethoxymethylene)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethoxymethylene)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.