2-Acetylbutyrolactone
TL;DR: 2-Acetylbutyrolactone (CAS 517-23-7) is a chemical compound with molecular formula C6H8O3 and molecular weight 128.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetyloxolan-2-one
Also Known As: 2-Acetylbutyrolactone, 3-acetyloxolan-2-one, 3-acetyldihydrofuran-2(3H)-one, 2-Acetylbutanolide, ALPHA-ACETYLBUTYROLACTONE
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8O3 |
| Molecular Weight | 128.04735 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.04735 Da |
| Heavy Atoms | 9 |
| Complexity | 150.0 |
| SMILES | CC(=O)C1CCOC1=O |
| InChIKey | OMQHDIHZSDEIFH-UHFFFAOYSA-N |
Product Description
Applications: 2-Acetylbutyrolactone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 2-Acetylbutyrolactone (CAS 517-23-7) has the molecular formula C6H8O3 and a molecular weight of 128.05 g/mol. Synonyms include 2-Acetylbutyrolactone and 3-acetyloxolan-2-one.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Acetylbutyrolactone
Property Insights of 2-Acetylbutyrolactone
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylbutyrolactone. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Acetylbutyrolactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylbutyrolactone 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
What is the CAS number of 2-Acetylbutyrolactone?
The CAS number of 2-Acetylbutyrolactone is 517-23-7.
What is the molecular formula of 2-Acetylbutyrolactone?
The molecular formula of 2-Acetylbutyrolactone is C6H8O3.
What is the molecular weight of 2-Acetylbutyrolactone?
The molecular weight of 2-Acetylbutyrolactone is 128.04735 g/mol.
What are the applications of 2-Acetylbutyrolactone?
2-Acetylbutyrolactone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 2-Acetylbutyrolactone?
You can request a quote for 2-Acetylbutyrolactone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Acetylbutyrolactone?
Yes, CoreyChem provides custom synthesis services for 2-Acetylbutyrolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.