Benzoxazole, 2-ethyl-
TL;DR: Benzoxazole, 2-ethyl- (CAS 6797-13-3) 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.
2-ethyl-1,3-benzoxazole
Also Known As: 2-Ethylbenzo[d]oxazole, 2-Ethylbenzoxazole, BENZOXAZOLE, 2-ETHYL-, 2-Ethyl-1,3-benzoxazole, 2-ethyl-benzooxazole
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 2.6 |
| 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 | 6797-13-3 |
|---|---|
| SMILES | CCC1=NC2=CC=CC=C2O1 |
| InChIKey | YPIFLXOVPCARGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoxazole, 2-ethyl- (CAS 6797-13-3), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 2-ethyl-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 2-ethyl-
Property Insights of Benzoxazole, 2-ethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoxazole, 2-ethyl-. With a topological polar surface area (TPSA) of 26.0 Ų, Benzoxazole, 2-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 2-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 Benzoxazole, 2-ethyl-?
The CAS number of Benzoxazole, 2-ethyl- is 6797-13-3.
What is the molecular formula of Benzoxazole, 2-ethyl-?
The molecular formula of Benzoxazole, 2-ethyl- is C9H9NO.
What is the molecular weight of Benzoxazole, 2-ethyl-?
The molecular weight of Benzoxazole, 2-ethyl- is 147.07 g/mol.
Where can I buy Benzoxazole, 2-ethyl-?
You can request a quote for Benzoxazole, 2-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 2-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.