Toxiusol
TL;DR: Toxiusol (CAS 153322-44-2) is a chemical compound with molecular formula C36H54O8S2 and molecular weight 678.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[(1R,2R,5S,8aS)-5-[2-[(1R,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-sulfooxyphenyl] hydrogen sulfate
Also Known As: Toxiusol, Toxiusol A, [2-[[(1R,2R,5S,8aS)-5-[2-[(1R,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-sulfooxyphenyl] hydrogen sulfate, (2-(((1R,2R,5S,8aS)-5-(2-((1R,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl)ethyl)-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl)methyl)-4-sulfooxyphenyl) hydrogen sulfate, [2-[[(1R,2R,5S,8aS)-5-[2-[(1R,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-sulfooxy-phenyl] hydrogen sulfate
| Molecular Formula | C36H54O8S2 |
|---|---|
| Molecular Weight | 678.33 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 678.326 |
| Heavy Atoms | 46 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 153322-44-2 |
|---|---|
| SMILES | C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@]1(C)CC[C@@]3(CCC[C@@H]4C3=CC[C@H]([C@@]4(C)CC5=C(C=CC(=C5)OS(=O)(=O)O)OS(=O)(=O)O)C)C |
| InChIKey | IDKFTCRFJYOYKG-ZXGJXZSTSA-N |
Product Overview
Toxiusol (CAS 153322-44-2), with molecular formula C36H54O8S2 and molecular weight 678.33 g/mol. IUPAC: [2-[[(1R,2R,5S,8aS)-5-[2-[(1R,2S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2,5-trimethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methyl]-4-sulfooxyphenyl] hydrogen sulfate.
Chemical Property Profile of Toxiusol
Property Insights of Toxiusol
The XLogP value of 9.8 indicates that Toxiusol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting Toxiusol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Toxiusol has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Toxiusol?
The CAS number of Toxiusol is 153322-44-2.
What is the molecular formula of Toxiusol?
The molecular formula of Toxiusol is C36H54O8S2.
What is the molecular weight of Toxiusol?
The molecular weight of Toxiusol is 678.33 g/mol.
Where can I buy Toxiusol?
You can request a quote for Toxiusol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toxiusol?
Yes, KEHONG BIO provides custom synthesis services for Toxiusol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.