3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide
TL;DR: 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide (CAS 135138-42-0) is a chemical compound with molecular formula C15H16O4S and molecular weight 292.07693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dioxo-3-phenylmethoxy-3,3a,4,7a-tetrahydro-2H-1-benzothiophen-5-one
Also Known As: 3-Btbtd, 3-Benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide, 1,1-dioxo-3-phenylmethoxy-3,3a,4,7a-tetrahydro-2H-1-benzothiophen-5-one, 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5- -one-1,1-dioxide, 3-(Benzyloxy)-2,3,3a,7a-tetrahydro-1H-1-benzothiophene-1,1,5(4H)-trione
Technical Specifications
| Molecular Formula | C15H16O4S |
| Molecular Weight | 292.07693 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.07693 Da |
| Heavy Atoms | 20 |
| Complexity | 496.0 |
| SMILES | C1C2C(CS(=O)(=O)C2C=CC1=O)OCC3=CC=CC=C3 |
| InChIKey | WPOOONGUNIWHDE-UHFFFAOYSA-N |
Chemical Property Profile of 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide
Property Insights of 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide. Following Lipinski's Rule of Five, 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide 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 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide?
The CAS number of 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide is 135138-42-0.
What is the molecular formula of 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide?
The molecular formula of 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide is C15H16O4S.
What is the molecular weight of 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide?
The molecular weight of 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide is 292.07693 g/mol.
Where can I buy 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide?
You can request a quote for 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide?
Yes, CoreyChem provides custom synthesis services for 3-benzyloxy-2,3,3a,7a-tetrahydrobenzothiophen-5-(4H)-one-1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.