Aristotelone
TL;DR: Aristotelone (CAS 59863-01-3) is a chemical compound with molecular formula C20H26N2O and molecular weight 310.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2',2',7'-trimethylspiro[1H-indole-2,6'-3-azatricyclo[5.2.2.04,8]undecane]-3-one
Also Known As: Aristotelone, ARISTOTELONE B668273K007, 3a,8,8-Trimethyl-1,2,3a,4,5,6,7,7a-octahydrospiro[1,6-(epiminomethano)indene-3,2'-indol]-3'(1'H)-one
| Molecular Formula | C20H26N2O |
|---|---|
| Molecular Weight | 310.20 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 310.2045 |
| Heavy Atoms | 23 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 59863-01-3 |
|---|---|
| SMILES | CC1(C2CCC3(C(C2)C(N1)CC34C(=O)C5=CC=CC=C5N4)C)C |
| InChIKey | RDOJZOUKVJESIV-UHFFFAOYSA-N |
Product Overview
Aristotelone (CAS 59863-01-3), with molecular formula C20H26N2O and molecular weight 310.20 g/mol. IUPAC: 2',2',7'-trimethylspiro[1H-indole-2,6'-3-azatricyclo[5.2.2.04,8]undecane]-3-one.
Chemical Property Profile of Aristotelone
Property Insights of Aristotelone
The XLogP value of 3.5 indicates that Aristotelone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Aristotelone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aristotelone has 2 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 Aristotelone?
The CAS number of Aristotelone is 59863-01-3.
What is the molecular formula of Aristotelone?
The molecular formula of Aristotelone is C20H26N2O.
What is the molecular weight of Aristotelone?
The molecular weight of Aristotelone is 310.20 g/mol.
Where can I buy Aristotelone?
You can request a quote for Aristotelone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aristotelone?
Yes, KEHONG BIO provides custom synthesis services for Aristotelone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.