Atractylenolide I
TL;DR: Atractylenolide I (CAS 73069-13-3) is a chemical compound with molecular formula C15H18O2 and molecular weight 230.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one
Also Known As: Atractylenolide I, AtractylenolideI, Atractylenolide 1, Atractylenolide-I, 8,9-dehydroasterolide
| Molecular Formula | C15H18O2 |
|---|---|
| Molecular Weight | 230.13 g/mol |
| LogP | 3.5099 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.13068 |
| Heavy Atoms | 17 |
| Complexity | 481.1503 |
Chemical Identifiers
| CAS Number | 73069-13-3 |
|---|---|
| SMILES | CC1=C2C[C@H]3C(=C)CCC[C@@]3(C=C2OC1=O)C |
Product Overview
Atractylenolide I (CAS 73069-13-3), with molecular formula C15H18O2 and molecular weight 230.13 g/mol. IUPAC: (4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one.
Chemical Property Profile of Atractylenolide I
Property Insights of Atractylenolide I
The XLogP value of 3.5099 indicates that Atractylenolide I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Atractylenolide I exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Atractylenolide I has 0 hydrogen bond donor(s) and 2 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 Atractylenolide I?
The CAS number of Atractylenolide I is 73069-13-3.
What is the molecular formula of Atractylenolide I?
The molecular formula of Atractylenolide I is C15H18O2.
What is the molecular weight of Atractylenolide I?
The molecular weight of Atractylenolide I is 230.13 g/mol.
Where can I buy Atractylenolide I?
You can request a quote for Atractylenolide I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atractylenolide I?
Yes, KEHONG BIO provides custom synthesis services for Atractylenolide I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.