2,1-Benzisoxazole, 7-ethyl-
TL;DR: 2,1-Benzisoxazole, 7-ethyl- (CAS 108562-74-9) 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.
7-ethyl-2,1-benzoxazole
Also Known As: 2,1-Benzisoxazole, 7-ethyl-, 7-ethyl-2,1-benzoxazole, 7-ethylbenzo[c]isoxazole
| 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 | 108562-74-9 |
|---|---|
| SMILES | CCC1=CC=CC2=CON=C21 |
| InChIKey | JFQYRMCCOOYXGW-UHFFFAOYSA-N |
Product Overview
2,1-Benzisoxazole, 7-ethyl- (CAS 108562-74-9), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 7-ethyl-2,1-benzoxazole.
Chemical Property Profile of 2,1-Benzisoxazole, 7-ethyl-
Property Insights of 2,1-Benzisoxazole, 7-ethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1-Benzisoxazole, 7-ethyl-. With a topological polar surface area (TPSA) of 26.0 Ų, 2,1-Benzisoxazole, 7-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,1-Benzisoxazole, 7-ethyl- 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 2,1-Benzisoxazole, 7-ethyl-?
The CAS number of 2,1-Benzisoxazole, 7-ethyl- is 108562-74-9.
What is the molecular formula of 2,1-Benzisoxazole, 7-ethyl-?
The molecular formula of 2,1-Benzisoxazole, 7-ethyl- is C9H9NO.
What is the molecular weight of 2,1-Benzisoxazole, 7-ethyl-?
The molecular weight of 2,1-Benzisoxazole, 7-ethyl- is 147.07 g/mol.
Where can I buy 2,1-Benzisoxazole, 7-ethyl-?
You can request a quote for 2,1-Benzisoxazole, 7-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1-Benzisoxazole, 7-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,1-Benzisoxazole, 7-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.