1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)-
TL;DR: 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)- (CAS 97872-00-9) is a chemical compound with molecular formula C18H18N2O2 and molecular weight 294.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)acetamide
Also Known As: 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)-, 2-benzo[d]isoxazol-3-yl-N-(2-phenylpropan-2-yl)acetamide, 2-(1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)acetamide
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H18N2O2 |
| Molecular Weight | 294.13684 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.13684 Da |
| Heavy Atoms | 22 |
| Complexity | 391.0 |
| SMILES | CC(C)(C1=CC=CC=C1)NC(=O)CC2=NOC3=CC=CC=C32 |
| InChIKey | OLVBOSZZKBNGJJ-UHFFFAOYSA-N |
Product Description
Applications: 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)- is a heterocyclic building block identified by CAS number 97872-00-9 and the molecular formula C18H18N2O2 and a molecular weight of 294.14 g/mol. Synonyms include 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)- and 2-benzo[d]isoxazol-3-yl-N-(2-phenylpropan-2-yl)acetamide.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)-
Property Insights of 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)-
The XLogP value of 3.0 indicates that 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)- 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
What is the CAS number of 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)-?
The CAS number of 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)- is 97872-00-9.
What is the molecular formula of 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)-?
The molecular formula of 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)- is C18H18N2O2.
What is the molecular weight of 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)-?
The molecular weight of 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)- is 294.13684 g/mol.
What are the applications of 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)-?
1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic...
Where can I buy 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)-?
You can request a quote for 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)-?
Yes, CoreyChem provides custom synthesis services for 1,2-Benzisoxazole-3-acetamide, N-(alpha,alpha-dimethylbenzyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.