Propylene diacetoacetate
TL;DR: Propylene diacetoacetate (CAS 6079-90-9) is a chemical compound with molecular formula C11H16O6 and molecular weight 244.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxobutanoyloxy)propyl 3-oxobutanoate
Also Known As: Propylene diacetoacetate, propane-1,2-diyl bis(3-oxobutanoate), 2-(3-oxobutanoyloxy)propyl 3-oxobutanoate, Bis(acetoacetic acid)1,2-propanediyl ester, Bis(3-oxobutanoic acid)1-methyl-1,2-ethanediyl ester
| Molecular Formula | C11H16O6 |
|---|---|
| Molecular Weight | 244.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 244.09468 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 6079-90-9 |
|---|---|
| SMILES | CC(COC(=O)CC(=O)C)OC(=O)CC(=O)C |
| InChIKey | LJJMDCNKKJRLBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propylene diacetoacetate (CAS 6079-90-9), with molecular formula C11H16O6 and molecular weight 244.09 g/mol. IUPAC: 2-(3-oxobutanoyloxy)propyl 3-oxobutanoate.
Chemical Property Profile of Propylene diacetoacetate
Property Insights of Propylene diacetoacetate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propylene diacetoacetate. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Propylene diacetoacetate. Following Lipinski's Rule of Five, Propylene diacetoacetate has 0 hydrogen bond donor(s) and 6 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 Propylene diacetoacetate?
The CAS number of Propylene diacetoacetate is 6079-90-9.
What is the molecular formula of Propylene diacetoacetate?
The molecular formula of Propylene diacetoacetate is C11H16O6.
What is the molecular weight of Propylene diacetoacetate?
The molecular weight of Propylene diacetoacetate is 244.09 g/mol.
Where can I buy Propylene diacetoacetate?
You can request a quote for Propylene diacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propylene diacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Propylene diacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.