2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide
TL;DR: 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide (CAS 577761-01-4) is a chemical compound with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(pyridin-3-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: AO-081/42095750, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide, N-(pyridin-3-ylmethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide, 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-N-(pyridin-3-ylmethyl)acetamide, 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-(pyridin-3-ylmethyl)acetamide
| Molecular Formula | C15H13N3O4S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.06268 |
| Heavy Atoms | 23 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 577761-01-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)NCC3=CN=CC=C3 |
| InChIKey | VMYGYXIWXDMDTM-UHFFFAOYSA-N |
Product Overview
2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide (CAS 577761-01-4), with molecular formula C15H13N3O4S and molecular weight 331.06 g/mol. IUPAC: N-(pyridin-3-ylmethyl)-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-pyridinylmethyl)acetamide
Property Insights of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide. The TPSA of 105.0 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-pyridinylmethyl)acetamide. Following Lipinski's Rule of Five, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide 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-pyridinylmethyl)acetamide?
The CAS number of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide is 577761-01-4.
What is the molecular formula of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide?
The molecular formula of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide is C15H13N3O4S.
What is the molecular weight of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide?
The molecular weight of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide is 331.06 g/mol.
Where can I buy 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide?
You can request a quote for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide 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-pyridinylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-pyridinylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.