![1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate structure](/static/products/607/6079-98-7.png)
1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate
TL;DR: 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate (CAS 6079-98-7) is a chemical compound with molecular formula C15H20O9 and molecular weight 344.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(3-oxobutanoyloxy)propyl 3-oxobutanoate
Also Known As: Tri(acetoacetic acid)1,2,3-propanetriyl ester, 2,3-bis(3-oxobutanoyloxy)propyl 3-oxobutanoate, 1,3-bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate, Propane-1,2,3-triyl tris(3-oxobutanoate), Tris(3-oxobutyric acid)1,2,3-propanetriyl ester
| Molecular Formula | C15H20O9 |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | -0.0781 |
| Topological Polar Surface Area | 130.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 344.11072 |
| Heavy Atoms | 24 |
| Complexity | 489.03778 |
Chemical Identifiers
| CAS Number | 6079-98-7 |
|---|---|
| SMILES | CC(=O)CC(=O)OCC(COC(=O)CC(=O)C)OC(=O)CC(=O)C |
Product Overview
1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate (CAS 6079-98-7), with molecular formula C15H20O9 and molecular weight 344.11 g/mol. IUPAC: 2,3-bis(3-oxobutanoyloxy)propyl 3-oxobutanoate.
Chemical Property Profile of 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate
Property Insights of 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate
The XLogP value of -0.0781 indicates that 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate. Following Lipinski's Rule of Five, 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate has 0 hydrogen bond donor(s) and 9 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 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate?
The CAS number of 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate is 6079-98-7.
What is the molecular formula of 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate?
The molecular formula of 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate is C15H20O9.
What is the molecular weight of 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate?
The molecular weight of 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate is 344.11 g/mol.
Where can I buy 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate?
You can request a quote for 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis[(3-oxobutanoyl)oxy]propan-2-yl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.