Aristotelinine
TL;DR: Aristotelinine (CAS 66833-16-7) is a chemical compound with molecular formula C20H26N2O2 and molecular weight 326.20 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-2,4,6,8-tetraene-10,19-diol
Also Known As: Aristotelinine, ARISTOTELININE B668273K009, 1,14,14-trimethyl-3,13-diazapentacyclo(13.2.2.02,10.04,9.012,17)nonadeca-2,4,6,8-tetraene-10,19-diol, 1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2,4,6,8-tetraene-10,19-diol, 11b,13,13-Trimethyl-1,2,3,4,4a,5,6,11b-octahydro-6aH-5,3-(epiminomethano)benzo[a]carbazole-2,6a-diol
| Molecular Formula | C20H26N2O2 |
|---|---|
| Molecular Weight | 326.20 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 326.19943 |
| Heavy Atoms | 24 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 66833-16-7 |
|---|---|
| SMILES | CC1(C2CC3C(N1)CC4(C5=CC=CC=C5N=C4C3(CC2O)C)O)C |
| InChIKey | JZECANPAOKDOSF-UHFFFAOYSA-N |
Product Overview
Aristotelinine (CAS 66833-16-7), with molecular formula C20H26N2O2 and molecular weight 326.20 g/mol. IUPAC: 1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2,4,6,8-tetraene-10,19-diol.
Chemical Property Profile of Aristotelinine
Property Insights of Aristotelinine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aristotelinine. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Aristotelinine. Following Lipinski's Rule of Five, Aristotelinine has 3 hydrogen bond donor(s) and 4 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 Aristotelinine?
The CAS number of Aristotelinine is 66833-16-7.
What is the molecular formula of Aristotelinine?
The molecular formula of Aristotelinine is C20H26N2O2.
What is the molecular weight of Aristotelinine?
The molecular weight of Aristotelinine is 326.20 g/mol.
Where can I buy Aristotelinine?
You can request a quote for Aristotelinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aristotelinine?
Yes, KEHONG BIO provides custom synthesis services for Aristotelinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.