Sokotrasterol sulfate
TL;DR: Sokotrasterol sulfate (CAS 85748-14-7) is a chemical compound with molecular formula C31H51NaO12S3-2 and molecular weight 734.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium [(2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3-disulfonatooxy-17-[(E,2R)-5,6,6,7-tetramethyloct-4-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate
Also Known As: Sokotrasterol sulfate, 24,25,26,26-Tetramethyl-5-alpha-cholestene-2beta,3alpha,6alpha-triol trisulfate, Ergost-23-ene-2,3,6-triol, 25-(1-methylethyl)-, tris(hydrogen sulfate), trisodium salt, (2beta,3alpha,5alpha,6alpha,23E)-, sodium;[(2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3-disulfonatooxy-17-[(E,2R)-5,6,6,7-tetramethyloct-4-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate, 24,25,26,26-tetramethyl-5-alpha-cholestene-2 beta,3 alpha,6 alpha-triol trisulfate
| Molecular Formula | C31H51NaO12S3-2 |
|---|---|
| Molecular Weight | 734.24 g/mol |
| LogP | 2.06 |
| Topological Polar Surface Area | 199.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 734.244 |
| Heavy Atoms | 47 |
| Complexity | 1494.5587 |
Chemical Identifiers
| CAS Number | 85748-14-7 |
|---|---|
| SMILES | C[C@H](C/C=C(\C)/C(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.[Na+] |
Product Overview
Sokotrasterol sulfate (CAS 85748-14-7), with molecular formula C31H51NaO12S3-2 and molecular weight 734.24 g/mol. IUPAC: sodium [(2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3-disulfonatooxy-17-[(E,2R)-5,6,6,7-tetramethyloct-4-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate.
Chemical Property Profile of Sokotrasterol sulfate
Property Insights of Sokotrasterol sulfate
The XLogP value of 2.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sokotrasterol sulfate. The TPSA of 199.29 Ų indicates high polarity, suggesting Sokotrasterol sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sokotrasterol sulfate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sokotrasterol sulfate?
The CAS number of Sokotrasterol sulfate is 85748-14-7.
What is the molecular formula of Sokotrasterol sulfate?
The molecular formula of Sokotrasterol sulfate is C31H51NaO12S3-2.
What is the molecular weight of Sokotrasterol sulfate?
The molecular weight of Sokotrasterol sulfate is 734.24 g/mol.
Where can I buy Sokotrasterol sulfate?
You can request a quote for Sokotrasterol sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sokotrasterol sulfate?
Yes, KEHONG BIO provides custom synthesis services for Sokotrasterol sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.