alpha-Toxicarol
TL;DR: alpha-Toxicarol (CAS 82-09-7) 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)-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, KST-1A0007, 5-19-10-00641 (Beilstein Handbook Reference), (13as)-6-hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3h-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7ah)-one, (1S)-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
| 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 | 82-09-7 |
|---|---|
| SMILES | CC1(C=CC2=C(O1)C=C(C3=C2O[C@@H]4COC5=CC(=C(C=C5C4C3=O)OC)OC)O)C |
| InChIKey | JLTNCZQNGBLBGO-MRTLOADZSA-N |
Product Overview
alpha-Toxicarol (CAS 82-09-7), with molecular formula C23H22O7 and molecular weight 410.14 g/mol. IUPAC: (1S)-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 82-09-7.
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.