Β-丁内酯
TL;DR: Β-丁内酯 (CAS 3068-88-0) is a chemical compound with molecular formula C4H6O2 and molecular weight 86.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Β-丁内酯
4-methyloxetan-2-one
Also Known As: beta-Butyrolactone, 4-Methyloxetan-2-one, 2-Oxetanone, 4-methyl-, b-Butyrolactone, A-Butyrolactone
| Molecular Formula | C4H6O2 |
|---|---|
| Molecular Weight | 86.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 86.03678 |
| Heavy Atoms | 6 |
| Complexity | 77.0 |
| Melting Point | -43.5 °C |
| Boiling Point | 160 to 72.8 °C at 29 mmHg |
| Density | 1.0555 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 73 °F (NTP, 1992) |
| Flash Point | 60.0 °C |
| Vapor Pressure | 0.5 mmHg at 42.2 °C ; 5.5 mmHg at 51.1 °C; 18.5 mmHg at 72.8 °C |
Chemical Identifiers
| CAS Number | 3068-88-0 |
|---|---|
| SMILES | CC1CC(=O)O1 |
| InChIKey | GSCLMSFRWBPUSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Β-丁内酯 (CAS 3068-88-0), with molecular formula C4H6O2 and molecular weight 86.04 g/mol. IUPAC: 4-methyloxetan-2-one.
Chemical Property Profile of Β-丁内酯
Property Insights of Β-丁内酯
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Β-丁内酯. With a topological polar surface area (TPSA) of 26.3 Ų, Β-丁内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Β-丁内酯 has 0 hydrogen bond donor(s) and 2 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 Β-丁内酯?
The CAS number of Β-丁内酯 is 3068-88-0.
What is the molecular formula of Β-丁内酯?
The molecular formula of Β-丁内酯 is C4H6O2.
What is the molecular weight of Β-丁内酯?
The molecular weight of Β-丁内酯 is 86.04 g/mol.
Where can I buy Β-丁内酯?
You can request a quote for Β-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 Β-丁内酯?
Yes, KEHONG BIO provides custom synthesis services for Β-丁内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.