Acetoin Acetate
TL;DR: Acetoin Acetate (CAS 4906-24-5) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxobutan-2-yl acetate
Also Known As: Acetoin acetate, 3-oxobutan-2-yl acetate, 3-Acetoxy-2-butanone, 2-Acetoxy-3-butanone, Dimesna
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 4906-24-5 |
|---|---|
| SMILES | CC(C(=O)C)OC(=O)C |
| InChIKey | ZKPTYCJWRHHBOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetoin Acetate (CAS 4906-24-5), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: 3-oxobutan-2-yl acetate.
Chemical Property Profile of Acetoin Acetate
Property Insights of Acetoin Acetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetoin Acetate. With a topological polar surface area (TPSA) of 43.4 Ų, Acetoin Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetoin Acetate 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 Acetoin Acetate?
The CAS number of Acetoin Acetate is 4906-24-5.
What is the molecular formula of Acetoin Acetate?
The molecular formula of Acetoin Acetate is C6H10O3.
What is the molecular weight of Acetoin Acetate?
The molecular weight of Acetoin Acetate is 130.06 g/mol.
Where can I buy Acetoin Acetate?
You can request a quote for Acetoin Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetoin Acetate?
Yes, KEHONG BIO provides custom synthesis services for Acetoin Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.