5alpha-Cholestano-3,6-dione bisethylene dithiolane
TL;DR: 5alpha-Cholestano-3,6-dione bisethylene dithiolane (CAS 145176-59-6) is a chemical compound with molecular formula C31H52O8S4 and molecular weight 680.2545 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 5alpha-Cholestano-3,6-dione bisethylene dithiolane, 5-alpha-Cholestan-3,6-dione-bis-ethylene dithiolane, Cholestane-3,6-dione, cyclic bis(1,2-ethanediylmercaptole), S,S,S',S',S'',S'',S''',S'''-octaoxide, (5-alpha)-
Technical Specifications
| Molecular Formula | C31H52O8S4 |
| Molecular Weight | 680.2545 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 680.2545 Da |
| Heavy Atoms | 43 |
| Complexity | 1510.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC4(C5[C@@]3(CCC6(C5)S(=O)(=O)CCS6(=O)=O)C)S(=O)(=O)CCS4(=O)=O)C |
| InChIKey | BXXUGZRQJKGRSC-PBZZZYAZSA-N |
Chemical Property Profile of 5alpha-Cholestano-3,6-dione bisethylene dithiolane
Property Insights of 5alpha-Cholestano-3,6-dione bisethylene dithiolane
The XLogP value of 6.3 indicates that 5alpha-Cholestano-3,6-dione bisethylene dithiolane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting 5alpha-Cholestano-3,6-dione bisethylene dithiolane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5alpha-Cholestano-3,6-dione bisethylene dithiolane 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 5alpha-Cholestano-3,6-dione bisethylene dithiolane?
The CAS number of 5alpha-Cholestano-3,6-dione bisethylene dithiolane is 145176-59-6.
What is the molecular formula of 5alpha-Cholestano-3,6-dione bisethylene dithiolane?
The molecular formula of 5alpha-Cholestano-3,6-dione bisethylene dithiolane is C31H52O8S4.
What is the molecular weight of 5alpha-Cholestano-3,6-dione bisethylene dithiolane?
The molecular weight of 5alpha-Cholestano-3,6-dione bisethylene dithiolane is 680.2545 g/mol.
Where can I buy 5alpha-Cholestano-3,6-dione bisethylene dithiolane?
You can request a quote for 5alpha-Cholestano-3,6-dione bisethylene dithiolane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5alpha-Cholestano-3,6-dione bisethylene dithiolane?
Yes, CoreyChem provides custom synthesis services for 5alpha-Cholestano-3,6-dione bisethylene dithiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.