6-O-Acetylhelenalin
TL;DR: 6-O-Acetylhelenalin (CAS 10180-86-6) is a chemical compound with molecular formula C17H20O5 and molecular weight 304.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate
Also Known As: Angustibalin, Helenalin acetate, 6-O-acetylhelenalin, Helenalin 6-acetate, Linifoline A
| Molecular Formula | C17H20O5 |
|---|---|
| Molecular Weight | 304.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.13107 |
| Heavy Atoms | 22 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 10180-86-6 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2 |
| InChIKey | DCNRYQODUSSOKC-HKHYKUHTSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-O-Acetylhelenalin (CAS 10180-86-6), with molecular formula C17H20O5 and molecular weight 304.13 g/mol. IUPAC: [(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate.
Chemical Property Profile of 6-O-Acetylhelenalin
Property Insights of 6-O-Acetylhelenalin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-O-Acetylhelenalin. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-O-Acetylhelenalin. Following Lipinski's Rule of Five, 6-O-Acetylhelenalin has 0 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 6-O-Acetylhelenalin?
The CAS number of 6-O-Acetylhelenalin is 10180-86-6.
What is the molecular formula of 6-O-Acetylhelenalin?
The molecular formula of 6-O-Acetylhelenalin is C17H20O5.
What is the molecular weight of 6-O-Acetylhelenalin?
The molecular weight of 6-O-Acetylhelenalin is 304.13 g/mol.
Where can I buy 6-O-Acetylhelenalin?
You can request a quote for 6-O-Acetylhelenalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-Acetylhelenalin?
Yes, KEHONG BIO provides custom synthesis services for 6-O-Acetylhelenalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.