Sumatrol
TL;DR: Sumatrol (CAS 82-10-0) 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.
(1S,6R,13S)-10-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: Sumatrol, beta-Toxicarol, (-)-sumatrol, 11-Hydroxyrotenone, (-)-11-hydroxyrotenone
| Molecular Formula | C23H22O7 |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 4.3 |
| 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 | 695.0 |
Chemical Identifiers
| CAS Number | 82-10-0 |
|---|---|
| SMILES | CC(=C)[C@H]1CC2=C(O1)C=C(C3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC)O |
| InChIKey | ZPEHYKMRUBEPSQ-XMCHAPAWSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sumatrol (CAS 82-10-0), with molecular formula C23H22O7 and molecular weight 410.14 g/mol. IUPAC: (1S,6R,13S)-10-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 Sumatrol
Property Insights of Sumatrol
The XLogP value of 4.3 indicates that Sumatrol 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 Sumatrol. Following Lipinski's Rule of Five, Sumatrol 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 Sumatrol?
The CAS number of Sumatrol is 82-10-0.
What is the molecular formula of Sumatrol?
The molecular formula of Sumatrol is C23H22O7.
What is the molecular weight of Sumatrol?
The molecular weight of Sumatrol is 410.14 g/mol.
Where can I buy Sumatrol?
You can request a quote for Sumatrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sumatrol?
Yes, KEHONG BIO provides custom synthesis services for Sumatrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.