Aristoteline
TL;DR: Aristoteline (CAS 57103-59-0) is a chemical compound with molecular formula C20H26N2 and molecular weight 294.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2(10),4,6,8-tetraene
Also Known As: Aristoteline, 6-hydroxy-dehydro-rotenon, ARISTOTELINE B668273K010, (1H)Indolo[2,3-g](3,5-ethanoquinoline), 2,2,5-trimethyl-1,2,3,4,4a,5,11,11a-octahydro-, 1,14,14-trimethyl-3,13-diazapentacyclo(13.2.2.02,10.04,9.012,17)nonadeca-2(10),4,6,8-tetraene
| Molecular Formula | C20H26N2 |
|---|---|
| Molecular Weight | 294.21 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 294.2096 |
| Heavy Atoms | 22 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 57103-59-0 |
|---|---|
| SMILES | CC1(C2CCC3(C(C2)C(N1)CC4=C3NC5=CC=CC=C45)C)C |
| InChIKey | QYBCOSRUKXCALD-UHFFFAOYSA-N |
Product Overview
Aristoteline (CAS 57103-59-0), with molecular formula C20H26N2 and molecular weight 294.21 g/mol. IUPAC: 1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2(10),4,6,8-tetraene.
Chemical Property Profile of Aristoteline
Property Insights of Aristoteline
The XLogP value of 4.1 indicates that Aristoteline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.8 Ų, Aristoteline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aristoteline has 2 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 Aristoteline?
The CAS number of Aristoteline is 57103-59-0.
What is the molecular formula of Aristoteline?
The molecular formula of Aristoteline is C20H26N2.
What is the molecular weight of Aristoteline?
The molecular weight of Aristoteline is 294.21 g/mol.
Where can I buy Aristoteline?
You can request a quote for Aristoteline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aristoteline?
Yes, KEHONG BIO provides custom synthesis services for Aristoteline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.