Rotenolone II
TL;DR: Rotenolone II (CAS 545-76-6) 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,13S)-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, Rotenolone II, Rotenolon II, trans-12a-Hydroxyrotenone, 12aalpha-Hydroxyrotenone
| 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 |
Chemical Identifiers
| CAS Number | 545-76-6 |
|---|---|
| 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-LQNXUBFPSA-N |
Product Overview
Rotenolone II (CAS 545-76-6), with molecular formula C23H22O7 and molecular weight 410.14 g/mol. IUPAC: (1R,6R,13S)-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 Rotenolone II
Property Insights of Rotenolone II
The XLogP value of 3.3 indicates that Rotenolone II 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 Rotenolone II. Following Lipinski's Rule of Five, Rotenolone II 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 Rotenolone II?
The CAS number of Rotenolone II is 545-76-6.
What is the molecular formula of Rotenolone II?
The molecular formula of Rotenolone II is C23H22O7.
What is the molecular weight of Rotenolone II?
The molecular weight of Rotenolone II is 410.14 g/mol.
Where can I buy Rotenolone II?
You can request a quote for Rotenolone II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rotenolone II?
Yes, KEHONG BIO provides custom synthesis services for Rotenolone II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.