Atractylon
TL;DR: Atractylon (CAS 6989-21-5) is a chemical compound with molecular formula C15H20O and molecular weight 216.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran
Also Known As: Atractylon, Atractylone, Atractyloxide, Atractylol, Atractyline(Discontinued)(Sh)
| Molecular Formula | C15H20O |
|---|---|
| Molecular Weight | 216.15 g/mol |
| LogP | 4.04922 |
| Topological Polar Surface Area | 13.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.15141 |
| Heavy Atoms | 16 |
| Complexity | 440.28748 |
Chemical Identifiers
| CAS Number | 6989-21-5 |
|---|---|
| SMILES | CC1=COC2=C1C[C@H]3C(=C)CCC[C@@]3(C2)C |
Product Overview
Atractylon (CAS 6989-21-5), with molecular formula C15H20O and molecular weight 216.15 g/mol. IUPAC: (4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran.
Chemical Property Profile of Atractylon
Property Insights of Atractylon
The XLogP value of 4.04922 indicates that Atractylon is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.14 Ų, Atractylon exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Atractylon has 0 hydrogen bond donor(s) and 1 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 Atractylon?
The CAS number of Atractylon is 6989-21-5.
What is the molecular formula of Atractylon?
The molecular formula of Atractylon is C15H20O.
What is the molecular weight of Atractylon?
The molecular weight of Atractylon is 216.15 g/mol.
Where can I buy Atractylon?
You can request a quote for Atractylon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atractylon?
Yes, KEHONG BIO provides custom synthesis services for Atractylon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.