N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide
TL;DR: N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide (CAS 452329-87-2) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: BAS 06320553, VU0135004-2, N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide, AO-081/41757468, N-benzyl-N-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 1.4897 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 893.8164 |
Chemical Identifiers
| CAS Number | 452329-87-2 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide (CAS 452329-87-2), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: N-benzyl-N-methyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide
Property Insights of N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide
The XLogP value of 1.4897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide. Following Lipinski's Rule of Five, N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide 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 N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide?
The CAS number of N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide is 452329-87-2.
What is the molecular formula of N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide?
The molecular formula of N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide is C17H16N2O4S.
What is the molecular weight of N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide?
The molecular weight of N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide is 344.08 g/mol.
Where can I buy N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide?
You can request a quote for N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-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 N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.