4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one
TL;DR: 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one (CAS 147510-59-6) is a chemical compound with molecular formula C14H24O4SSi and molecular weight 316.11646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-dioxo-3a,4,7,7a-tetrahydro-1-benzothiophen-3-one
Also Known As: Bdstto, KST-1A1500, 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one, (3ar,4s,7ar)-4-{[tert-butyl(dimethyl)silyl]oxy}-3a,4,7,7a-tetrahydro-1-benzothiophen-3(2h)-one 1,1-dioxide, (3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-1,1-dioxo-3a,4,7,7a-tetrahydro-1-benzothiophen-3-one
Technical Specifications
| Molecular Formula | C14H24O4SSi |
| Molecular Weight | 316.11646 g/mol |
| XLogP | 2.319 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.11646 Da |
| Heavy Atoms | 20 |
| Complexity | 537.0 |
| SMILES | CC(C)(C)[Si](C)(C)O[C@H]1C=CC[C@@H]2[C@H]1C(=O)CS2(=O)=O |
| InChIKey | KYHJMBIQAKCGAC-XQQFMLRXSA-N |
Chemical Property Profile of 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one
Property Insights of 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one
The XLogP value of 2.319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one. Following Lipinski's Rule of Five, 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one?
The CAS number of 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one is 147510-59-6.
What is the molecular formula of 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one?
The molecular formula of 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one is C14H24O4SSi.
What is the molecular weight of 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one?
The molecular weight of 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one is 316.11646 g/mol.
Where can I buy 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one?
You can request a quote for 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one?
Yes, CoreyChem provides custom synthesis services for 4-(tert-Butyldimethylsiloxy)-3a,4,7,7a-tetrahydrobenzo(b)thiphen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.