4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one
TL;DR: 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one (CAS 878208-96-9) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-aminoethyl)-3-phenyl-2H-1,2-oxazol-5-one
Also Known As: 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one, 4-(2-aminoethyl)-3-phenyl-2H-1,2-oxazol-5-one, 4-(2-AMINOETHYL)-3-PHENYL-5(2H)-ISOXAZOLONE, 4-(2-aminoethyl)-3-phenyl-2H-isoxazol-5-one, 4-(2-aminoethyl)-3-phenyl-1,2-oxazol-5(2H)-one
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 1.1361 |
| Topological Polar Surface Area | 72.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 484.78906 |
Chemical Identifiers
| CAS Number | 878208-96-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)ON2)CCN |
Product Overview
4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one (CAS 878208-96-9), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: 4-(2-aminoethyl)-3-phenyl-2H-1,2-oxazol-5-one.
Chemical Property Profile of 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one
Property Insights of 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one
The XLogP value of 1.1361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one. The TPSA of 72.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one. Following Lipinski's Rule of Five, 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one has 2 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 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one?
The CAS number of 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one is 878208-96-9.
What is the molecular formula of 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one?
The molecular formula of 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one is C11H12N2O2.
What is the molecular weight of 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one?
The molecular weight of 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one is 204.09 g/mol.
Where can I buy 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one?
You can request a quote for 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.