2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide
TL;DR: 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide (CAS 77696-93-6) is a chemical compound with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: ChemDiv3_005594, IDI1_023504, 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide, BRD-K79471953-001-01-9, A3550/0150499
| Molecular Formula | C10H10N2O4S |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | -0.4229 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.03613 |
| Heavy Atoms | 17 |
| Complexity | 594.07837 |
Chemical Identifiers
| CAS Number | 77696-93-6 |
|---|---|
| SMILES | CNC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O |
Product Overview
2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide (CAS 77696-93-6), with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol. IUPAC: N-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide
Property Insights of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide
The XLogP value of -0.4229 indicates that 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide. Following Lipinski's Rule of Five, 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide has 1 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-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide?
The CAS number of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide is 77696-93-6.
What is the molecular formula of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide?
The molecular formula of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide is C10H10N2O4S.
What is the molecular weight of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide?
The molecular weight of 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide is 254.04 g/mol.
Where can I buy 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide?
You can request a quote for 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide 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-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.