3-Bstbtd
TL;DR: 3-Bstbtd (CAS 127486-99-1) is a chemical compound with molecular formula C24H28O4SSi and molecular weight 440.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,3aR,7aR)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-dioxo-3,3a,4,7a-tetrahydro-2H-1-benzothiophen-5-one
Also Known As: 3-Bstbtd, 3-tert-Butyldiphenylsiloxy-2,3,3a,7a-tetrahydrobenzo(b)thiophen-5(4H)-one 1,1-dioxide, (3R,3aR,7aR)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-dioxo-3,3a,4,7a-tetrahydro-2H-1-benzothiophen-5-one, Benzo(b)thiophen-5(4H)-one, 3-(((1,1-dimethylethyl)diphenylsilyl)oxy)-2,3,3a,7a-tetrahydro-, 1,1-dioxide, (3alpha,3abeta,7abeta)-(+-)-, (3R,3aR,7aR)-3-{[tert-Butyldi(phenyl)silyl]oxy}-2,3,3a,7a-tetrahydro-1H-1lambda~6~-benzothiophene-1,1,5(4H)-trione
| Molecular Formula | C24H28O4SSi |
|---|---|
| Molecular Weight | 440.15 g/mol |
| LogP | 2.8738 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.14777 |
| Heavy Atoms | 30 |
| Complexity | 1015.8897 |
Chemical Identifiers
| CAS Number | 127486-99-1 |
|---|---|
| SMILES | CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3CS(=O)(=O)[C@H]4[C@@H]3CC(=O)C=C4 |
Product Overview
3-Bstbtd (CAS 127486-99-1), with molecular formula C24H28O4SSi and molecular weight 440.15 g/mol. IUPAC: (3R,3aR,7aR)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-dioxo-3,3a,4,7a-tetrahydro-2H-1-benzothiophen-5-one.
Chemical Property Profile of 3-Bstbtd
Property Insights of 3-Bstbtd
The XLogP value of 2.8738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bstbtd. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bstbtd. Following Lipinski's Rule of Five, 3-Bstbtd 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
Frequently Asked Questions
What is the CAS number of 3-Bstbtd?
The CAS number of 3-Bstbtd is 127486-99-1.
What is the molecular formula of 3-Bstbtd?
The molecular formula of 3-Bstbtd is C24H28O4SSi.
What is the molecular weight of 3-Bstbtd?
The molecular weight of 3-Bstbtd is 440.15 g/mol.
Where can I buy 3-Bstbtd?
You can request a quote for 3-Bstbtd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bstbtd?
Yes, KEHONG BIO provides custom synthesis services for 3-Bstbtd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.