Cholestan-3,6-diyl disulfate
TL;DR: Cholestan-3,6-diyl disulfate (CAS 141677-53-4) is a chemical compound with molecular formula C27H46Na2O8S2 and molecular weight 608.2429 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;[(3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-sulfonatooxy-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: Cholestan-3,6-diyl disulfate, Cholest-3,6-di-SO4, Disodium cholestane-3,6-diyl disulfate, 5alpha-Cholestan-3beta,6alpha-diyl disulfate, Cholestan-3,6-diyl disulfate, disodium salt
Technical Specifications
| Molecular Formula | C27H46Na2O8S2 |
| Molecular Weight | 608.2429 g/mol |
| XLogP | -0.5836 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 608.2429 Da |
| Heavy Atoms | 39 |
| Complexity | 989.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)OS(=O)(=O)[O-])C.[Na+].[Na+] |
| InChIKey | LSZOEUUICRWOTO-JFEUVQKDSA-L |
Chemical Property Profile of Cholestan-3,6-diyl disulfate
Property Insights of Cholestan-3,6-diyl disulfate
The XLogP value of -0.5836 indicates that Cholestan-3,6-diyl disulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting Cholestan-3,6-diyl disulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cholestan-3,6-diyl disulfate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cholestan-3,6-diyl disulfate?
The CAS number of Cholestan-3,6-diyl disulfate is 141677-53-4.
What is the molecular formula of Cholestan-3,6-diyl disulfate?
The molecular formula of Cholestan-3,6-diyl disulfate is C27H46Na2O8S2.
What is the molecular weight of Cholestan-3,6-diyl disulfate?
The molecular weight of Cholestan-3,6-diyl disulfate is 608.2429 g/mol.
Where can I buy Cholestan-3,6-diyl disulfate?
You can request a quote for Cholestan-3,6-diyl disulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cholestan-3,6-diyl disulfate?
Yes, CoreyChem provides custom synthesis services for Cholestan-3,6-diyl disulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.