8-Hydroxyasterolid
TL;DR: 8-Hydroxyasterolid (CAS 94204-13-4) 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.
9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
Also Known As: Atractylenolide III, LASSIOSIPHOL, 8-Hydroxyasterolid, Atractylenolide, 8-Hydroxyasterolide
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.1 |
| 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 | 476.0 |
Chemical Identifiers
| CAS Number | 94204-13-4 |
|---|---|
| SMILES | CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C |
| InChIKey | FBMORZZOJSDNRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Hydroxyasterolid (CAS 94204-13-4), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one.
Chemical Property Profile of 8-Hydroxyasterolid
Property Insights of 8-Hydroxyasterolid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Hydroxyasterolid. With a topological polar surface area (TPSA) of 46.5 Ų, 8-Hydroxyasterolid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Hydroxyasterolid 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 8-Hydroxyasterolid?
The CAS number of 8-Hydroxyasterolid is 94204-13-4.
What is the molecular formula of 8-Hydroxyasterolid?
The molecular formula of 8-Hydroxyasterolid is C15H20O3.
What is the molecular weight of 8-Hydroxyasterolid?
The molecular weight of 8-Hydroxyasterolid is 248.14 g/mol.
Where can I buy 8-Hydroxyasterolid?
You can request a quote for 8-Hydroxyasterolid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Hydroxyasterolid?
Yes, KEHONG BIO provides custom synthesis services for 8-Hydroxyasterolid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.