3-Oxobutanoyloxymethyl 3-oxobutanoate
TL;DR: 3-Oxobutanoyloxymethyl 3-oxobutanoate (CAS 7595-76-8) is a chemical compound with molecular formula C9H12O6 and molecular weight 216.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxobutanoyloxymethyl 3-oxobutanoate
Also Known As: methylene bisacetoacetate, 3-oxobutanoyloxymethyl 3-oxobutanoate, Methylene bis(3-oxobutanoate), RefChem:281548
| Molecular Formula | C9H12O6 |
|---|---|
| Molecular Weight | 216.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.06339 |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 7595-76-8 |
|---|---|
| SMILES | CC(=O)CC(=O)OCOC(=O)CC(=O)C |
| InChIKey | DZXVHONBBPKYTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Oxobutanoyloxymethyl 3-oxobutanoate (CAS 7595-76-8), with molecular formula C9H12O6 and molecular weight 216.06 g/mol. IUPAC: 3-oxobutanoyloxymethyl 3-oxobutanoate.
Chemical Property Profile of 3-Oxobutanoyloxymethyl 3-oxobutanoate
Property Insights of 3-Oxobutanoyloxymethyl 3-oxobutanoate
The XLogP value of -0.2 indicates that 3-Oxobutanoyloxymethyl 3-oxobutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxobutanoyloxymethyl 3-oxobutanoate. Following Lipinski's Rule of Five, 3-Oxobutanoyloxymethyl 3-oxobutanoate 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 3-Oxobutanoyloxymethyl 3-oxobutanoate?
The CAS number of 3-Oxobutanoyloxymethyl 3-oxobutanoate is 7595-76-8.
What is the molecular formula of 3-Oxobutanoyloxymethyl 3-oxobutanoate?
The molecular formula of 3-Oxobutanoyloxymethyl 3-oxobutanoate is C9H12O6.
What is the molecular weight of 3-Oxobutanoyloxymethyl 3-oxobutanoate?
The molecular weight of 3-Oxobutanoyloxymethyl 3-oxobutanoate is 216.06 g/mol.
Where can I buy 3-Oxobutanoyloxymethyl 3-oxobutanoate?
You can request a quote for 3-Oxobutanoyloxymethyl 3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxobutanoyloxymethyl 3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxobutanoyloxymethyl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.