Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester
TL;DR: Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester (CAS 76489-36-6) is a chemical compound with molecular formula C11H16O7 and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-3-(3-oxobutanoyloxy)propyl] 3-oxobutanoate
Also Known As: Glycerol 1,3-bis(3-oxobutyrate), 1,3-bis-acetoacetyloxy-propan-2-ol, FK 156, Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester, 2-Hydroxypropane-1,3-diyl bis(3-oxobutanoate)
| Molecular Formula | C11H16O7 |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 260.0896 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 76489-36-6 |
|---|---|
| SMILES | CC(=O)CC(=O)OCC(COC(=O)CC(=O)C)O |
| InChIKey | HFMLYEAYFMPTFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester (CAS 76489-36-6), with molecular formula C11H16O7 and molecular weight 260.09 g/mol. IUPAC: [2-hydroxy-3-(3-oxobutanoyloxy)propyl] 3-oxobutanoate.
Chemical Property Profile of Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester
Property Insights of Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester
The XLogP value of -0.9 indicates that Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester. Following Lipinski's Rule of Five, Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester has 1 hydrogen bond donor(s) and 7 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 Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester?
The CAS number of Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester is 76489-36-6.
What is the molecular formula of Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester?
The molecular formula of Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester is C11H16O7.
What is the molecular weight of Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester?
The molecular weight of Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester is 260.09 g/mol.
Where can I buy Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester?
You can request a quote for Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-oxo-, 2-hydroxy-1,3-propanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.