Rotenolone
TL;DR: Rotenolone (CAS 110508-98-0) 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,6S,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, 12abeta-Hydroxyrotenone, KST-1A0908, J2.252.172A, (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one,1,2,12,12a-tetrahydro-6a-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)-, (2S-(2alpha,6abeta,12abeta))-
| 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 | 110508-98-0 |
|---|---|
| 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-LERMDLETSA-N |
Product Overview
Rotenolone (CAS 110508-98-0), with molecular formula C23H22O7 and molecular weight 410.14 g/mol. IUPAC: (1R,6S,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 Rotenolone
Property Insights of Rotenolone
The XLogP value of 3.3 indicates that Rotenolone 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. Following Lipinski's Rule of Five, Rotenolone 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?
The CAS number of Rotenolone is 110508-98-0.
What is the molecular formula of Rotenolone?
The molecular formula of Rotenolone is C23H22O7.
What is the molecular weight of Rotenolone?
The molecular weight of Rotenolone is 410.14 g/mol.
Where can I buy Rotenolone?
You can request a quote for Rotenolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rotenolone?
Yes, KEHONG BIO provides custom synthesis services for Rotenolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.