3(2H)-Isoxazolone, 2-ethyl-5-phenyl-
TL;DR: 3(2H)-Isoxazolone, 2-ethyl-5-phenyl- (CAS 945-59-5) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-5-phenyl-1,2-oxazol-3-one
Also Known As: 2-ethyl-5-phenyl-1,2-oxazol-3-one, 2-ethyl-5-phenyl-isoxazol-3-one, 3(2H)-Isoxazolone, 2-ethyl-5-phenyl-, 2-ethyl-5-phenylisoxazol-3(2H)-one, 2-Ethyl-5-phenyl-1,2-oxazol-3(2H)-one
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 2.1282 |
| Topological Polar Surface Area | 35.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 467.5328 |
Chemical Identifiers
| CAS Number | 945-59-5 |
|---|---|
| SMILES | CCN1C(=O)C=C(O1)C2=CC=CC=C2 |
Product Overview
3(2H)-Isoxazolone, 2-ethyl-5-phenyl- (CAS 945-59-5), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 2-ethyl-5-phenyl-1,2-oxazol-3-one.
Chemical Property Profile of 3(2H)-Isoxazolone, 2-ethyl-5-phenyl-
Property Insights of 3(2H)-Isoxazolone, 2-ethyl-5-phenyl-
The XLogP value of 2.1282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Isoxazolone, 2-ethyl-5-phenyl-. With a topological polar surface area (TPSA) of 35.14 Ų, 3(2H)-Isoxazolone, 2-ethyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Isoxazolone, 2-ethyl-5-phenyl- 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(2H)-Isoxazolone, 2-ethyl-5-phenyl-?
The CAS number of 3(2H)-Isoxazolone, 2-ethyl-5-phenyl- is 945-59-5.
What is the molecular formula of 3(2H)-Isoxazolone, 2-ethyl-5-phenyl-?
The molecular formula of 3(2H)-Isoxazolone, 2-ethyl-5-phenyl- is C11H11NO2.
What is the molecular weight of 3(2H)-Isoxazolone, 2-ethyl-5-phenyl-?
The molecular weight of 3(2H)-Isoxazolone, 2-ethyl-5-phenyl- is 189.08 g/mol.
Where can I buy 3(2H)-Isoxazolone, 2-ethyl-5-phenyl-?
You can request a quote for 3(2H)-Isoxazolone, 2-ethyl-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Isoxazolone, 2-ethyl-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Isoxazolone, 2-ethyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.