α-当归酸内酯
TL;DR: α-当归酸内酯 (CAS 591-12-8) 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.
α-当归酸内酯
5-methyl-3H-furan-2-one
Also Known As: alpha-Angelica lactone, alpha-Angelicalactone, 5-Methylfuran-2(3H)-one, 5-Methyl-2(3H)-furanone, 5-methyl-3H-furan-2-one
| Molecular Formula | C5H6O2 |
|---|---|
| Molecular Weight | 98.04 g/mol |
| LogP | 0.6 |
| 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 | 124.0 |
Chemical Identifiers
| CAS Number | 591-12-8 |
|---|---|
| SMILES | CC1=CCC(=O)O1 |
| InChIKey | QOTQFLOTGBBMEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-当归酸内酯 (CAS 591-12-8), with molecular formula C5H6O2 and molecular weight 98.04 g/mol. IUPAC: 5-methyl-3H-furan-2-one.
Chemical Property Profile of α-当归酸内酯
Property Insights of α-当归酸内酯
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-当归酸内酯. With a topological polar surface area (TPSA) of 26.3 Ų, α-当归酸内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-当归酸内酯 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-当归酸内酯?
The CAS number of α-当归酸内酯 is 591-12-8.
What is the molecular formula of α-当归酸内酯?
The molecular formula of α-当归酸内酯 is C5H6O2.
What is the molecular weight of α-当归酸内酯?
The molecular weight of α-当归酸内酯 is 98.04 g/mol.
Where can I buy α-当归酸内酯?
You can request a quote for α-当归酸内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-当归酸内酯?
Yes, KEHONG BIO provides custom synthesis services for α-当归酸内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.