((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate
TL;DR: ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate (CAS 136379-68-5) is a chemical compound with molecular formula C19H38O5SSi and molecular weight 406.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4aS,5S,8R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl] methanesulfonate
Also Known As: ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate, (2S,4aS,5S,8R,8aR)-5-{[tert-Butyldi(methyl)silyl]oxy}-8-hydroxy-4a,8-dimethyldecahydronaphthalen-2-yl methanesulfonate, [(2S,4aS,5S,8R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl] methanesulfonate
| Molecular Formula | C19H38O5SSi |
|---|---|
| Molecular Weight | 406.22 g/mol |
| LogP | 4.0728 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.22092 |
| Heavy Atoms | 26 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 136379-68-5 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1[C@](CC[C@@H]2O[Si](C)(C)C(C)(C)C)(C)O)OS(=O)(=O)C |
| InChIKey | DKSQDFQMUZQVFI-JZFYCYHFSA-N |
Product Overview
((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate (CAS 136379-68-5), with molecular formula C19H38O5SSi and molecular weight 406.22 g/mol. IUPAC: [(2S,4aS,5S,8R,8aR)-5-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl] methanesulfonate.
Chemical Property Profile of ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate
Property Insights of ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate
The XLogP value of 4.0728 indicates that ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate. Following Lipinski's Rule of Five, ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate?
The CAS number of ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate is 136379-68-5.
What is the molecular formula of ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate?
The molecular formula of ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate is C19H38O5SSi.
What is the molecular weight of ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate?
The molecular weight of ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate is 406.22 g/mol.
Where can I buy ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate?
You can request a quote for ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for ((2S,4aS,5S,8R,8aR)-5-(tert-Butyldimethylsilyl)oxy-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl) methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.