alpha-Liriodenolide
TL;DR: alpha-Liriodenolide (CAS 6343-69-7) is a chemical compound with molecular formula C17H22O5 and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate
Also Known As: alpha-Liriodenolide, A-Liriodenolid, KST-1A6938, (3ar,4r,5ar,6r,9as,9br)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,5a,6,7,9a,9b-decahydronaphtho[1,2-b]furan-4-yl acetate, [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 6343-69-7 |
|---|---|
| SMILES | CC1=CC[C@H]([C@]2([C@H]1[C@@H]3[C@@H]([C@@H](C2)OC(=O)C)C(=C)C(=O)O3)C)O |
| InChIKey | AKSKHQQIZQNYLX-MMCSFCSJSA-N |
Product Overview
alpha-Liriodenolide (CAS 6343-69-7), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate.
Chemical Property Profile of alpha-Liriodenolide
Property Insights of alpha-Liriodenolide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Liriodenolide. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Liriodenolide. Following Lipinski's Rule of Five, alpha-Liriodenolide has 1 hydrogen bond donor(s) and 5 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-Liriodenolide?
The CAS number of alpha-Liriodenolide is 6343-69-7.
What is the molecular formula of alpha-Liriodenolide?
The molecular formula of alpha-Liriodenolide is C17H22O5.
What is the molecular weight of alpha-Liriodenolide?
The molecular weight of alpha-Liriodenolide is 306.15 g/mol.
Where can I buy alpha-Liriodenolide?
You can request a quote for alpha-Liriodenolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Liriodenolide?
Yes, KEHONG BIO provides custom synthesis services for alpha-Liriodenolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.