Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate)
TL;DR: Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate) (CAS 103065-20-9) is a chemical compound with molecular formula C29H52O12S3 and molecular weight 688.2621 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3-disulfooxy-17-[(2R,5S)-5,6,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate
Also Known As: Halistanol sulfate, Halistanol trisulfate, KST-1A0395, [(2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3-disulfooxy-17-[(2R,5S)-5,6,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate, 25-methylergostane-2,3,6-triyl tris(hydrogen sulfate)
Technical Specifications
| Molecular Formula | C29H52O12S3 |
| Molecular Weight | 688.2621 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 216.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 688.2621 Da |
| Heavy Atoms | 44 |
| Complexity | 1360.0 |
| SMILES | C[C@H](CC[C@H](C)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(C[C@@H]([C@H](C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C |
| InChIKey | UYXOPBYFUWYADH-APJFPIMXSA-N |
Chemical Property Profile of Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate)
Property Insights of Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate)
The XLogP value of 6.5 indicates that Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 216.0 Ų indicates high polarity, suggesting Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate) has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate)?
The CAS number of Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate) is 103065-20-9.
What is the molecular formula of Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate)?
The molecular formula of Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate) is C29H52O12S3.
What is the molecular weight of Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate)?
The molecular weight of Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate) is 688.2621 g/mol.
Where can I buy Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate)?
You can request a quote for Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate)?
Yes, CoreyChem provides custom synthesis services for Ergostane-2,3,6-triol, 25-methyl-, 2,3,6-tris(hydrogen sulfate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.