Dehydrorotenone
TL;DR: Dehydrorotenone (CAS 3466-09-9) is a chemical compound with molecular formula C23H20O6 and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-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-heptaen-12-one
Also Known As: Dehydrorotenone, Didehydrorotenone, 7,8-Didehydrorotenone, Rotenone, didehydro-, 6a,12a-Dehydrorotenone
| Molecular Formula | C23H20O6 |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.12598 |
| Heavy Atoms | 29 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 3466-09-9 |
|---|---|
| SMILES | CC(=C)[C@H]1CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC |
| InChIKey | GFERNZCCTZEIET-MRXNPFEDSA-N |
Product Overview
Dehydrorotenone (CAS 3466-09-9), with molecular formula C23H20O6 and molecular weight 392.13 g/mol. IUPAC: (6R)-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-heptaen-12-one.
Chemical Property Profile of Dehydrorotenone
Property Insights of Dehydrorotenone
The XLogP value of 4.0 indicates that Dehydrorotenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydrorotenone. Following Lipinski's Rule of Five, Dehydrorotenone has 0 hydrogen bond donor(s) and 6 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 Dehydrorotenone?
The CAS number of Dehydrorotenone is 3466-09-9.
What is the molecular formula of Dehydrorotenone?
The molecular formula of Dehydrorotenone is C23H20O6.
What is the molecular weight of Dehydrorotenone?
The molecular weight of Dehydrorotenone is 392.13 g/mol.
Where can I buy Dehydrorotenone?
You can request a quote for Dehydrorotenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrorotenone?
Yes, KEHONG BIO provides custom synthesis services for Dehydrorotenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.