Rotenonic acid
TL;DR: Rotenonic acid (CAS 70191-71-8) is a chemical compound with molecular formula C23H24O6 and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS,12aS)-9-hydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one
Also Known As: Rotenonic acid, Rot-2 -enoic acid, Spectrum2_000396, Spectrum3_000195, Spectrum4_001512
| Molecular Formula | C23H24O6 |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 4.038 |
| Topological Polar Surface Area | 74.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.1573 |
| Heavy Atoms | 29 |
| Complexity | 1002.913 |
Chemical Identifiers
| CAS Number | 70191-71-8 |
|---|---|
| SMILES | CC(=CCC1=C(C=CC2=C1O[C@@H]3COC4=CC(=C(C=C4[C@@H]3C2=O)OC)OC)O)C |
Product Overview
Rotenonic acid (CAS 70191-71-8), with molecular formula C23H24O6 and molecular weight 396.16 g/mol. IUPAC: (6aS,12aS)-9-hydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one.
Chemical Property Profile of Rotenonic acid
Property Insights of Rotenonic acid
The XLogP value of 4.038 indicates that Rotenonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Rotenonic acid. Following Lipinski's Rule of Five, Rotenonic acid has 1 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 Rotenonic acid?
The CAS number of Rotenonic acid is 70191-71-8.
What is the molecular formula of Rotenonic acid?
The molecular formula of Rotenonic acid is C23H24O6.
What is the molecular weight of Rotenonic acid?
The molecular weight of Rotenonic acid is 396.16 g/mol.
Where can I buy Rotenonic acid?
You can request a quote for Rotenonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rotenonic acid?
Yes, KEHONG BIO provides custom synthesis services for Rotenonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.