Propyl acetoacetate
TL;DR: Propyl acetoacetate (CAS 1779-60-8) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3-oxobutanoate
Also Known As: Propyl acetoacetate, Propyl 3-oxobutanoate, Acetoacetic acid n-propyl ester, n-propyl acetoacetate, propylacetoacetate
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 1779-60-8 |
|---|---|
| SMILES | CCCOC(=O)CC(=O)C |
| InChIKey | DHGFMVMDBNLMKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl acetoacetate (CAS 1779-60-8), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: propyl 3-oxobutanoate.
Chemical Property Profile of Propyl acetoacetate
Property Insights of Propyl acetoacetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl acetoacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Propyl acetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl acetoacetate 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 Propyl acetoacetate?
The CAS number of Propyl acetoacetate is 1779-60-8.
What is the molecular formula of Propyl acetoacetate?
The molecular formula of Propyl acetoacetate is C7H12O3.
What is the molecular weight of Propyl acetoacetate?
The molecular weight of Propyl acetoacetate is 144.08 g/mol.
Where can I buy Propyl acetoacetate?
You can request a quote for Propyl acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.