Rotenonone
TL;DR: Rotenonone (CAS 4439-62-7) is a chemical compound with molecular formula C23H18O7 and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaene-12,21-dione
Also Known As: Rotenonone, 8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2-dihydrochromeno[3,4-b]furo[2,3-h]chromene-6,12-dione
| Molecular Formula | C23H18O7 |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.10526 |
| Heavy Atoms | 30 |
| Complexity | 801.0 |
Chemical Identifiers
| CAS Number | 4439-62-7 |
|---|---|
| SMILES | CC(=C)C1CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4=O)OC)OC |
| InChIKey | CWZIPBGXMLRVIC-UHFFFAOYSA-N |
Product Overview
Rotenonone (CAS 4439-62-7), with molecular formula C23H18O7 and molecular weight 406.11 g/mol. IUPAC: 16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaene-12,21-dione.
Chemical Property Profile of Rotenonone
Property Insights of Rotenonone
The XLogP value of 4.1 indicates that Rotenonone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Rotenonone. Following Lipinski's Rule of Five, Rotenonone has 0 hydrogen bond donor(s) and 7 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 Rotenonone?
The CAS number of Rotenonone is 4439-62-7.
What is the molecular formula of Rotenonone?
The molecular formula of Rotenonone is C23H18O7.
What is the molecular weight of Rotenonone?
The molecular weight of Rotenonone is 406.11 g/mol.
Where can I buy Rotenonone?
You can request a quote for Rotenonone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rotenonone?
Yes, KEHONG BIO provides custom synthesis services for Rotenonone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.