4-((1-Oxoallyl)oxy)butyl acetoacetate
TL;DR: 4-((1-Oxoallyl)oxy)butyl acetoacetate (CAS 13025-07-5) is a chemical compound with molecular formula C11H16O5 and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-prop-2-enoyloxybutyl 2-oxobutanoate
Also Known As: 4-(acryloyloxy)butyl 2-oxobutanoate, 4-prop-2-enoyloxybutyl 2-oxobutanoate, 4-[(1-Oxoallyl)oxy]butyl acetoacetate, 4-(acryloyloxy)butyl2-oxobutanoate, 4-((1-Oxoallyl)oxy)butyl acetoacetate
| Molecular Formula | C11H16O5 |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 228.09978 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 13025-07-5 |
|---|---|
| SMILES | CCC(=O)C(=O)OCCCCOC(=O)C=C |
| InChIKey | OQINFDKYEZTQMU-UHFFFAOYSA-N |
Product Overview
4-((1-Oxoallyl)oxy)butyl acetoacetate (CAS 13025-07-5), with molecular formula C11H16O5 and molecular weight 228.10 g/mol. IUPAC: 4-prop-2-enoyloxybutyl 2-oxobutanoate.
Chemical Property Profile of 4-((1-Oxoallyl)oxy)butyl acetoacetate
Property Insights of 4-((1-Oxoallyl)oxy)butyl acetoacetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((1-Oxoallyl)oxy)butyl acetoacetate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1-Oxoallyl)oxy)butyl acetoacetate. Following Lipinski's Rule of Five, 4-((1-Oxoallyl)oxy)butyl acetoacetate has 0 hydrogen bond donor(s) and 5 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 4-((1-Oxoallyl)oxy)butyl acetoacetate?
The CAS number of 4-((1-Oxoallyl)oxy)butyl acetoacetate is 13025-07-5.
What is the molecular formula of 4-((1-Oxoallyl)oxy)butyl acetoacetate?
The molecular formula of 4-((1-Oxoallyl)oxy)butyl acetoacetate is C11H16O5.
What is the molecular weight of 4-((1-Oxoallyl)oxy)butyl acetoacetate?
The molecular weight of 4-((1-Oxoallyl)oxy)butyl acetoacetate is 228.10 g/mol.
Where can I buy 4-((1-Oxoallyl)oxy)butyl acetoacetate?
You can request a quote for 4-((1-Oxoallyl)oxy)butyl acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1-Oxoallyl)oxy)butyl acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-((1-Oxoallyl)oxy)butyl acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.