4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin
TL;DR: 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin (CAS 125142-16-7) is a chemical compound with molecular formula C31H54O6Si and molecular weight 550.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3R,4aS,7S,8S,8aS)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-4a-hydroxy-3,7-dimethyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate
Also Known As: 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin, [(1S,3R,4aS,7S,8S,8aS)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-4a-hydroxy-3,7-dimethyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate, 4-Tert-Butyldimethylsilyl-4a/'-hydroxy Simvastatin, 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin, 2,2-Dimethyl-butanoic Acid [1S-[1alpha,3alpha,4aalpha,7beta,8beta(2S*,4S*),8abeta]]-8-[2-[4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3,7-dimethyl-1-naphthalenyl Ester
| Molecular Formula | C31H54O6Si |
|---|---|
| Molecular Weight | 550.37 g/mol |
| LogP | 6.8099 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 550.36896 |
| Heavy Atoms | 38 |
| Complexity | 889.29083 |
Chemical Identifiers
| CAS Number | 125142-16-7 |
|---|---|
| SMILES | CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@]2([C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)O)C |
Product Overview
4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin (CAS 125142-16-7), with molecular formula C31H54O6Si and molecular weight 550.37 g/mol. IUPAC: [(1S,3R,4aS,7S,8S,8aS)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-4a-hydroxy-3,7-dimethyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate.
Chemical Property Profile of 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin
Property Insights of 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin
The XLogP value of 6.8099 indicates that 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin. Following Lipinski's Rule of Five, 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin?
The CAS number of 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin is 125142-16-7.
What is the molecular formula of 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin?
The molecular formula of 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin is C31H54O6Si.
What is the molecular weight of 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin?
The molecular weight of 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin is 550.37 g/mol.
Where can I buy 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin?
You can request a quote for 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.