3-Ethyl-1,2-benzisoxazole
TL;DR: 3-Ethyl-1,2-benzisoxazole (CAS 66033-77-0) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1,2-benzoxazole
Also Known As: 3-Ethyl-1,2-benzisoxazole, 3-ethyl-1,2-benzoxazole, 3-Ethyl-benzo[d]isoxazole, benz[d]isozazole, 3-ethyl-, 1,2-benzisoxazole, 3-ethyl-
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 66033-77-0 |
|---|---|
| SMILES | CCC1=NOC2=CC=CC=C21 |
| InChIKey | YVSALFTUYBPYQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-1,2-benzisoxazole (CAS 66033-77-0), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 3-ethyl-1,2-benzoxazole.
Chemical Property Profile of 3-Ethyl-1,2-benzisoxazole
Property Insights of 3-Ethyl-1,2-benzisoxazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-1,2-benzisoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 3-Ethyl-1,2-benzisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-1,2-benzisoxazole has 0 hydrogen bond donor(s) and 2 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 3-Ethyl-1,2-benzisoxazole?
The CAS number of 3-Ethyl-1,2-benzisoxazole is 66033-77-0.
What is the molecular formula of 3-Ethyl-1,2-benzisoxazole?
The molecular formula of 3-Ethyl-1,2-benzisoxazole is C9H9NO.
What is the molecular weight of 3-Ethyl-1,2-benzisoxazole?
The molecular weight of 3-Ethyl-1,2-benzisoxazole is 147.07 g/mol.
Where can I buy 3-Ethyl-1,2-benzisoxazole?
You can request a quote for 3-Ethyl-1,2-benzisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-1,2-benzisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-1,2-benzisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.