2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide
TL;DR: 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide (CAS 578744-70-4) is a chemical compound with molecular formula C14H11N3O4S and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-pyridin-3-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: ChemDiv3_006290, CBKinase1_004628, CBKinase1_017028, IDI1_024200, N-(pyridin-3-yl)-2-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C14H11N3O4S |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 0.8648 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.04703 |
| Heavy Atoms | 22 |
| Complexity | 849.4015 |
Chemical Identifiers
| CAS Number | 578744-70-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NC3=CN=CC=C3 |
Product Overview
2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide (CAS 578744-70-4), with molecular formula C14H11N3O4S and molecular weight 317.05 g/mol. IUPAC: N-pyridin-3-yl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide
Property Insights of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide
The XLogP value of 0.8648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide. The TPSA of 96.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide. Following Lipinski's Rule of Five, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide has 1 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 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide?
The CAS number of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide is 578744-70-4.
What is the molecular formula of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide?
The molecular formula of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide is C14H11N3O4S.
What is the molecular weight of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide?
The molecular weight of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide is 317.05 g/mol.
Where can I buy 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide?
You can request a quote for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide 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-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-3-pyridinylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.