2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide
TL;DR: 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide (CAS 474249-48-4) is a chemical compound with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: BAS 06317646, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide, VU0495725-1, AO-081/41754513, N-(3-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
| Molecular Formula | C16H14N2O4S |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 1.77822 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.0674 |
| Heavy Atoms | 23 |
| Complexity | 905.8012 |
Chemical Identifiers
| CAS Number | 474249-48-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide (CAS 474249-48-4), with molecular formula C16H14N2O4S and molecular weight 330.07 g/mol. IUPAC: N-(3-methylphenyl)-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-methylphenyl)acetamide
Property Insights of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide
The XLogP value of 1.77822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide. 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-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide 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-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide?
The CAS number of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide is 474249-48-4.
What is the molecular formula of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide?
The molecular formula of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide is C16H14N2O4S.
What is the molecular weight of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide?
The molecular weight of 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide is 330.07 g/mol.
Where can I buy 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide?
You can request a quote for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)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-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(3-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.