α-甲基丁内酯
TL;DR: α-甲基丁内酯 (CAS 1679-47-6) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-甲基丁内酯
3-methyloxolan-2-one
Also Known As: 3-methyldihydrofuran-2(3H)-one, 3-methyloxolan-2-one, alpha-Methyl-gamma-butyrolactone, 2-Methylbutanolide, Dihydro-3-methyl-2(3H)-furanone
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 1679-47-6 |
|---|---|
| SMILES | CC1CCOC1=O |
| InChIKey | QGLBZNZGBLRJGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-甲基丁内酯 (CAS 1679-47-6), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: 3-methyloxolan-2-one.
Chemical Property Profile of α-甲基丁内酯
Property Insights of α-甲基丁内酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-甲基丁内酯. With a topological polar surface area (TPSA) of 26.3 Ų, α-甲基丁内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-甲基丁内酯 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 α-甲基丁内酯?
The CAS number of α-甲基丁内酯 is 1679-47-6.
What is the molecular formula of α-甲基丁内酯?
The molecular formula of α-甲基丁内酯 is C5H8O2.
What is the molecular weight of α-甲基丁内酯?
The molecular weight of α-甲基丁内酯 is 100.05 g/mol.
Where can I buy α-甲基丁内酯?
You can request a quote for α-甲基丁内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-甲基丁内酯?
Yes, KEHONG BIO provides custom synthesis services for α-甲基丁内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.