5'alpha-Epirotenone
TL;DR: 5'alpha-Epirotenone (CAS 42344-76-3) is a chemical compound with molecular formula C23H22O6 and molecular weight 394.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,6S,13S)-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: rotenone, 5'alpha-Epirotenone, (-)-Epirotenone, Epirotenone, (-)-, 5 alpha-Epirotenone
| Molecular Formula | C23H22O6 |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.14163 |
| Heavy Atoms | 29 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 42344-76-3 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC |
| InChIKey | JUVIOZPCNVVQFO-DQLDELGASA-N |
Product Overview
5'alpha-Epirotenone (CAS 42344-76-3), with molecular formula C23H22O6 and molecular weight 394.14 g/mol. IUPAC: (1S,6S,13S)-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 5'alpha-Epirotenone
Property Insights of 5'alpha-Epirotenone
The XLogP value of 4.1 indicates that 5'alpha-Epirotenone 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 5'alpha-Epirotenone. Following Lipinski's Rule of Five, 5'alpha-Epirotenone 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 5'alpha-Epirotenone?
The CAS number of 5'alpha-Epirotenone is 42344-76-3.
What is the molecular formula of 5'alpha-Epirotenone?
The molecular formula of 5'alpha-Epirotenone is C23H22O6.
What is the molecular weight of 5'alpha-Epirotenone?
The molecular weight of 5'alpha-Epirotenone is 394.14 g/mol.
Where can I buy 5'alpha-Epirotenone?
You can request a quote for 5'alpha-Epirotenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'alpha-Epirotenone?
Yes, KEHONG BIO provides custom synthesis services for 5'alpha-Epirotenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.