1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)-
TL;DR: 1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)- (CAS 100695-71-4) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)acetamide
Also Known As: 1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)-, 2-(5,7-Dimethyl-1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)acetamide, 2-(5,7-dimethylbenzo[d]isoxazol-3-yl)-N-(2-phenylpropan-2-yl)acetamide
| Molecular Formula | C20H22N2O2 |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.16812 |
| Heavy Atoms | 24 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 100695-71-4 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=NO2)CC(=O)NC(C)(C)C3=CC=CC=C3)C |
| InChIKey | BDTFDMBJOIOGTM-UHFFFAOYSA-N |
Product Overview
1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)- (CAS 100695-71-4), with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol. IUPAC: 2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-(2-phenylpropan-2-yl)acetamide.
Chemical Property Profile of 1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)-
Property Insights of 1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)-
The XLogP value of 3.8 indicates that 1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)- 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, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)- 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, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)-?
The CAS number of 1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)- is 100695-71-4.
What is the molecular formula of 1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)-?
The molecular formula of 1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)- is C20H22N2O2.
What is the molecular weight of 1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)-?
The molecular weight of 1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)- is 322.17 g/mol.
Where can I buy 1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)-?
You can request a quote for 1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)- 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, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoxazole-3-acetamide, 5,7-dimethyl-N-(1-methyl-1-phenylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.