![2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide structure](/static/products/7769/77696-99-2.webp)
2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide
TL;DR: 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide (CAS 77696-99-2) is a chemical compound with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: N,N-dimethyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide
| Molecular Formula | C11H12N2O4S |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | -0.0807 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0518 |
| Heavy Atoms | 18 |
| Complexity | 621.6853 |
Chemical Identifiers
| CAS Number | 77696-99-2 |
|---|---|
| SMILES | CN(C)C(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O |
Product Overview
2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide (CAS 77696-99-2), with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol. IUPAC: N,N-dimethyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide
Property Insights of 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide
The XLogP value of -0.0807 indicates that 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide. Following Lipinski's Rule of Five, 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide 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 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide?
The CAS number of 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide is 77696-99-2.
What is the molecular formula of 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide?
The molecular formula of 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide is C11H12N2O4S.
What is the molecular weight of 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide?
The molecular weight of 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide is 268.05 g/mol.
Where can I buy 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide?
You can request a quote for 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3h)-yl)-n,n-dimethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.