1,2-Benzisoxazole-3-acetamide
TL;DR: 1,2-Benzisoxazole-3-acetamide (CAS 23008-68-6) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2-benzoxazol-3-yl)acetamide
Also Known As: 1,2-Benzisoxazole-3-acetamide, 2-(1,2-benzoxazol-3-yl)acetamide, 2-(Benzo[d]isoxazol-3-yl)acetamide, Zonisamide Impurity 14, Zonisamide Impurity 18
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 23008-68-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NO2)CC(=O)N |
| InChIKey | WAOWHBKLGGZHMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzisoxazole-3-acetamide (CAS 23008-68-6), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 2-(1,2-benzoxazol-3-yl)acetamide.
Chemical Property Profile of 1,2-Benzisoxazole-3-acetamide
Property Insights of 1,2-Benzisoxazole-3-acetamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisoxazole-3-acetamide. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisoxazole-3-acetamide. Following Lipinski's Rule of Five, 1,2-Benzisoxazole-3-acetamide has 1 hydrogen bond donor(s) and 3 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 1,2-Benzisoxazole-3-acetamide?
The CAS number of 1,2-Benzisoxazole-3-acetamide is 23008-68-6.
What is the molecular formula of 1,2-Benzisoxazole-3-acetamide?
The molecular formula of 1,2-Benzisoxazole-3-acetamide is C9H8N2O2.
What is the molecular weight of 1,2-Benzisoxazole-3-acetamide?
The molecular weight of 1,2-Benzisoxazole-3-acetamide is 176.06 g/mol.
Where can I buy 1,2-Benzisoxazole-3-acetamide?
You can request a quote for 1,2-Benzisoxazole-3-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisoxazole-3-acetamide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoxazole-3-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.