Allyl 2-acetylacetoacetate
TL;DR: Allyl 2-acetylacetoacetate (CAS 30926-51-3) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-acetyl-3-oxobutanoate
Also Known As: Allyl 2-acetylacetoacetate, Allyl2-acetylacetoacetate, Allyl 2-acetyl-3-oxobutanoate, EINECS 250-394-5, prop-2-enyl 2-acetyl-3-oxobutanoate
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 0.5098 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 227.99925 |
Chemical Identifiers
| CAS Number | 30926-51-3 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)C(=O)OCC=C |
Product Overview
Allyl 2-acetylacetoacetate (CAS 30926-51-3), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: prop-2-enyl 2-acetyl-3-oxobutanoate.
Chemical Property Profile of Allyl 2-acetylacetoacetate
Property Insights of Allyl 2-acetylacetoacetate
The XLogP value of 0.5098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl 2-acetylacetoacetate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Allyl 2-acetylacetoacetate. Following Lipinski's Rule of Five, Allyl 2-acetylacetoacetate has 0 hydrogen bond donor(s) and 4 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 Allyl 2-acetylacetoacetate?
The CAS number of Allyl 2-acetylacetoacetate is 30926-51-3.
What is the molecular formula of Allyl 2-acetylacetoacetate?
The molecular formula of Allyl 2-acetylacetoacetate is C9H12O4.
What is the molecular weight of Allyl 2-acetylacetoacetate?
The molecular weight of Allyl 2-acetylacetoacetate is 184.07 g/mol.
Where can I buy Allyl 2-acetylacetoacetate?
You can request a quote for Allyl 2-acetylacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 2-acetylacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 2-acetylacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.