原白头翁素
TL;DR: 原白头翁素 (CAS 108-28-1) is a chemical compound with molecular formula C5H4O2 and molecular weight 96.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
原白头翁素
5-methylidenefuran-2-one
Also Known As: Protoanemonin, 5-Methylenefuran-2(5H)-one, Protoanemonene, 5-methylidenefuran-2-one, 5-methylene-2(5H)-furanone
| Molecular Formula | C5H4O2 |
|---|---|
| Molecular Weight | 96.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.021126 |
| Heavy Atoms | 7 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 108-28-1 |
|---|---|
| SMILES | C=C1C=CC(=O)O1 |
| InChIKey | RNYZJZKPGHQTJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
原白头翁素 (CAS 108-28-1), with molecular formula C5H4O2 and molecular weight 96.02 g/mol. IUPAC: 5-methylidenefuran-2-one.
Chemical Property Profile of 原白头翁素
Property Insights of 原白头翁素
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 原白头翁素. With a topological polar surface area (TPSA) of 26.3 Ų, 原白头翁素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 原白头翁素 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 原白头翁素?
The CAS number of 原白头翁素 is 108-28-1.
What is the molecular formula of 原白头翁素?
The molecular formula of 原白头翁素 is C5H4O2.
What is the molecular weight of 原白头翁素?
The molecular weight of 原白头翁素 is 96.02 g/mol.
Where can I buy 原白头翁素?
You can request a quote for 原白头翁素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 原白头翁素?
Yes, KEHONG BIO provides custom synthesis services for 原白头翁素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.