alpha-Methylene butyrolactone
TL;DR: alpha-Methylene butyrolactone (CAS 547-65-9) is a chemical compound with molecular formula C5H6O2 and molecular weight 98.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylideneoxolan-2-one
Also Known As: Tulipalin A, alpha-Methylene-gamma-butyrolactone, 2-methylenebutyrolactone, Tulipane, 3-methylideneoxolan-2-one
| Molecular Formula | C5H6O2 |
|---|---|
| Molecular Weight | 98.04 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 | 98.03678 |
| Heavy Atoms | 7 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 547-65-9 |
|---|---|
| SMILES | C=C1CCOC1=O |
| InChIKey | GSLDEZOOOSBFGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Methylene butyrolactone (CAS 547-65-9), with molecular formula C5H6O2 and molecular weight 98.04 g/mol. IUPAC: 3-methylideneoxolan-2-one.
Chemical Property Profile of alpha-Methylene butyrolactone
Property Insights of alpha-Methylene butyrolactone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Methylene butyrolactone. With a topological polar surface area (TPSA) of 26.3 Ų, alpha-Methylene butyrolactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Methylene butyrolactone 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 alpha-Methylene butyrolactone?
The CAS number of alpha-Methylene butyrolactone is 547-65-9.
What is the molecular formula of alpha-Methylene butyrolactone?
The molecular formula of alpha-Methylene butyrolactone is C5H6O2.
What is the molecular weight of alpha-Methylene butyrolactone?
The molecular weight of alpha-Methylene butyrolactone is 98.04 g/mol.
Where can I buy alpha-Methylene butyrolactone?
You can request a quote for alpha-Methylene butyrolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Methylene butyrolactone?
Yes, KEHONG BIO provides custom synthesis services for alpha-Methylene butyrolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.