Aspyrone
TL;DR: Aspyrone (CAS 20841-63-8) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-3-hydroxy-2-methyl-5-[(2S,3S)-3-methyloxiran-2-yl]-2,3-dihydropyran-6-one
Also Known As: Aspyrone, aspiron, RCAULRNMJFUWRP-HETMPLHPSA-, (5s,6r)-5-hydroxy-6-methyl-3-[(2s,3s)-3-methyloxiran-2-yl]-5,6-dihydro-2h-pyran-2-one, 2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-6-methyl-3-[(2S,3S)-3-methyl-2-oxiranyl]-, (5S,6R)-
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 20841-63-8 |
|---|---|
| SMILES | C[C@@H]1[C@H](C=C(C(=O)O1)[C@H]2[C@@H](O2)C)O |
| InChIKey | RCAULRNMJFUWRP-HETMPLHPSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aspyrone (CAS 20841-63-8), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: (2R,3S)-3-hydroxy-2-methyl-5-[(2S,3S)-3-methyloxiran-2-yl]-2,3-dihydropyran-6-one.
Chemical Property Profile of Aspyrone
Property Insights of Aspyrone
The XLogP value of -0.1 indicates that Aspyrone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.1 Ų, Aspyrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aspyrone has 1 hydrogen bond donor(s) and 4 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 Aspyrone?
The CAS number of Aspyrone is 20841-63-8.
What is the molecular formula of Aspyrone?
The molecular formula of Aspyrone is C9H12O4.
What is the molecular weight of Aspyrone?
The molecular weight of Aspyrone is 184.07 g/mol.
Where can I buy Aspyrone?
You can request a quote for Aspyrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspyrone?
Yes, KEHONG BIO provides custom synthesis services for Aspyrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.