Alpha-Toxicarol
TL;DR: Alpha-Toxicarol (CAS 13133-20-5) 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,14S)-11-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
Also Known As: alpha-Toxicarol, TOXICAROL, A-Toxicarol, I+/--Toxicarol, cent-Toxicarol
| Molecular Formula | C23H22O7 |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.13657 |
| Heavy Atoms | 30 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 13133-20-5 |
|---|---|
| SMILES | CC1(C=CC2=C(O1)C=C(C3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC)O)C |
| InChIKey | JLTNCZQNGBLBGO-MOPGFXCFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alpha-Toxicarol (CAS 13133-20-5), with molecular formula C23H22O7 and molecular weight 410.14 g/mol. IUPAC: (1S,14S)-11-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one.
Chemical Property Profile of Alpha-Toxicarol
Property Insights of Alpha-Toxicarol
The XLogP value of 3.9 indicates that Alpha-Toxicarol 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 Alpha-Toxicarol. Following Lipinski's Rule of Five, Alpha-Toxicarol 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 Alpha-Toxicarol?
The CAS number of Alpha-Toxicarol is 13133-20-5.
What is the molecular formula of Alpha-Toxicarol?
The molecular formula of Alpha-Toxicarol is C23H22O7.
What is the molecular weight of Alpha-Toxicarol?
The molecular weight of Alpha-Toxicarol is 410.14 g/mol.
Where can I buy Alpha-Toxicarol?
You can request a quote for Alpha-Toxicarol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-Toxicarol?
Yes, KEHONG BIO provides custom synthesis services for Alpha-Toxicarol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.