rotenone
TL;DR: rotenone (CAS 54141-69-4) 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.
(1R,6S,13R)-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, (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2S-(2alpha,6aalpha,12aalpha))-, (1R,6S,13R)-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3,8,10,14(19),15,17-hexaen-12-one, 2beta-(1-Methylethenyl)-1,2,12,12abeta-tetrahydro-8,9-dimethoxy[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6abetaH)-one
| Molecular Formula | C23H22O6 |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | 3.7033 |
| Topological Polar Surface Area | 63.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.14163 |
| Heavy Atoms | 29 |
| Complexity | 1040.1489 |
Chemical Identifiers
| CAS Number | 54141-69-4 |
|---|---|
| SMILES | CC(=C)[C@@H]1CC2=C(O1)C=CC3=C2O[C@H]4COC5=CC(=C(C=C5[C@H]4C3=O)OC)OC |
Product Overview
rotenone (CAS 54141-69-4), with molecular formula C23H22O6 and molecular weight 394.14 g/mol. IUPAC: (1R,6S,13R)-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 rotenone
Property Insights of rotenone
The XLogP value of 3.7033 indicates that rotenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.22 Ų falls within the moderate polarity range, balancing permeability and solubility for rotenone. Following Lipinski's Rule of Five, rotenone 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 rotenone?
The CAS number of rotenone is 54141-69-4.
What is the molecular formula of rotenone?
The molecular formula of rotenone is C23H22O6.
What is the molecular weight of rotenone?
The molecular weight of rotenone is 394.14 g/mol.
Where can I buy rotenone?
You can request a quote for rotenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rotenone?
Yes, KEHONG BIO provides custom synthesis services for rotenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.