![Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate structure](/static/products/6636/66366-27-6.webp)
Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate
TL;DR: Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate (CAS 66366-27-6) is a chemical compound with molecular formula C13H15NO5S and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate
Also Known As: TimTec1_007709, tert-butyl N-saccharinylacetate, BAS 06497324, IDI1_033363, TERT-BUTYL 2-(1,1-DIOXIDO-3-OXOBENZO[D]ISOTHIAZOL-2(3H)-YL)ACETATE
| Molecular Formula | C13H15NO5S |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 1.1728 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.0671 |
| Heavy Atoms | 20 |
| Complexity | 672.2471 |
Chemical Identifiers
| CAS Number | 66366-27-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O |
Product Overview
Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate (CAS 66366-27-6), with molecular formula C13H15NO5S and molecular weight 297.07 g/mol. IUPAC: tert-butyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate.
Chemical Property Profile of Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate
Property Insights of Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate
The XLogP value of 1.1728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate. Following Lipinski's Rule of Five, Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate has 0 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 Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate?
The CAS number of Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate is 66366-27-6.
What is the molecular formula of Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate?
The molecular formula of Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate is C13H15NO5S.
What is the molecular weight of Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate?
The molecular weight of Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate is 297.07 g/mol.
Where can I buy Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate?
You can request a quote for Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-(1,1-dioxido-3-oxobenzo[D]isothiazol-2(3H)-YL)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.