12A-Hydroxyrotenone
TL;DR: 12A-Hydroxyrotenone (CAS 509-96-6) is a chemical compound with molecular formula C23H22O7 and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,6R,13R)-13-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
Also Known As: Rotenolone, 12a-Hydroxyrotenone, Rotenalone, Rotenolone I, Rotenolon I
| Molecular Formula | C23H22O7 |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.13657 |
| Heavy Atoms | 30 |
| Complexity | 710.0 |
| Melting Point | 91 - 92 °C |
Chemical Identifiers
| CAS Number | 509-96-6 |
|---|---|
| SMILES | CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@]4(C3=O)O)OC)OC |
| InChIKey | JFVKWCYZKMUTLH-AYPBNUJASA-N |
Product Overview
12A-Hydroxyrotenone (CAS 509-96-6), with molecular formula C23H22O7 and molecular weight 410.14 g/mol. IUPAC: (1R,6R,13R)-13-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one.
Chemical Property Profile of 12A-Hydroxyrotenone
Property Insights of 12A-Hydroxyrotenone
The XLogP value of 3.3 indicates that 12A-Hydroxyrotenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 12A-Hydroxyrotenone. Following Lipinski's Rule of Five, 12A-Hydroxyrotenone has 1 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 12A-Hydroxyrotenone?
The CAS number of 12A-Hydroxyrotenone is 509-96-6.
What is the molecular formula of 12A-Hydroxyrotenone?
The molecular formula of 12A-Hydroxyrotenone is C23H22O7.
What is the molecular weight of 12A-Hydroxyrotenone?
The molecular weight of 12A-Hydroxyrotenone is 410.14 g/mol.
Where can I buy 12A-Hydroxyrotenone?
You can request a quote for 12A-Hydroxyrotenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12A-Hydroxyrotenone?
Yes, KEHONG BIO provides custom synthesis services for 12A-Hydroxyrotenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.