Α-乙酰-γ-丁内酯
TL;DR: Α-乙酰-γ-丁内酯 (CAS 517-23-7) is a chemical compound with molecular formula C6H8O3 and molecular weight 128.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Α-乙酰-γ-丁内酯
3-acetyloxolan-2-one
Also Known As: 2-Acetylbutyrolactone, 3-acetyloxolan-2-one, 3-acetyldihydrofuran-2(3H)-one, 2-Acetylbutanolide, ALPHA-ACETYLBUTYROLACTONE
| Molecular Formula | C6H8O3 |
|---|---|
| Molecular Weight | 128.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.04735 |
| Heavy Atoms | 9 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 517-23-7 |
|---|---|
| SMILES | CC(=O)C1CCOC1=O |
| InChIKey | OMQHDIHZSDEIFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Α-乙酰-γ-丁内酯 (CAS 517-23-7), with molecular formula C6H8O3 and molecular weight 128.05 g/mol. IUPAC: 3-acetyloxolan-2-one.
Chemical Property Profile of Α-乙酰-γ-丁内酯
Property Insights of Α-乙酰-γ-丁内酯
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Α-乙酰-γ-丁内酯. With a topological polar surface area (TPSA) of 43.4 Ų, Α-乙酰-γ-丁内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Α-乙酰-γ-丁内酯 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 Α-乙酰-γ-丁内酯?
The CAS number of Α-乙酰-γ-丁内酯 is 517-23-7.
What is the molecular formula of Α-乙酰-γ-丁内酯?
The molecular formula of Α-乙酰-γ-丁内酯 is C6H8O3.
What is the molecular weight of Α-乙酰-γ-丁内酯?
The molecular weight of Α-乙酰-γ-丁内酯 is 128.05 g/mol.
Where can I buy Α-乙酰-γ-丁内酯?
You can request a quote for Α-乙酰-γ-丁内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Α-乙酰-γ-丁内酯?
Yes, KEHONG BIO provides custom synthesis services for Α-乙酰-γ-丁内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.