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Micheliolide [M+H]+
TL;DR: Micheliolide [M+H]+ (CAS 68370-47-8) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-hydroxy-6,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
Also Known As: MICHELIOLIDE, Micheliolide [M+H]+, (3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one, 9-hydroxy-6,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 68370-47-8 |
|---|---|
| SMILES | CC1=C2CCC(C2C3C(CC1)C(=C)C(=O)O3)(C)O |
| InChIKey | RDJAFOWISVMOJY-UHFFFAOYSA-N |
Product Overview
Micheliolide [M+H]+ (CAS 68370-47-8), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 9-hydroxy-6,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one.
Chemical Property Profile of Micheliolide [M+H]+
Property Insights of Micheliolide [M+H]+
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Micheliolide [M+H]+. With a topological polar surface area (TPSA) of 46.5 Ų, Micheliolide [M+H]+ exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Micheliolide [M+H]+ has 1 hydrogen bond donor(s) and 3 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 Micheliolide [M+H]+?
The CAS number of Micheliolide [M+H]+ is 68370-47-8.
What is the molecular formula of Micheliolide [M+H]+?
The molecular formula of Micheliolide [M+H]+ is C15H20O3.
What is the molecular weight of Micheliolide [M+H]+?
The molecular weight of Micheliolide [M+H]+ is 248.14 g/mol.
Where can I buy Micheliolide [M+H]+?
You can request a quote for Micheliolide [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Micheliolide [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for Micheliolide [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.