1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)-
TL;DR: 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)- (CAS 76390-72-2) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-3-phenyl-1,2-oxazol-5-yl)ethanone
Also Known As: 5-acetyl-4-amino-3-phenylisoxazole, 1-(4-amino-3-phenylisoxazol-5-yl)ethanone, 1-(4-amino-3-phenyl-1,2-oxazol-5-yl)ethanone, 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)-, A4009/0170925
| Molecular Formula | C11H10N2O2 |
|---|---|
| Molecular Weight | 202.07 g/mol |
| LogP | 2.1264 |
| Topological Polar Surface Area | 69.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.07423 |
| Heavy Atoms | 15 |
| Complexity | 488.54395 |
Chemical Identifiers
| CAS Number | 76390-72-2 |
|---|---|
| SMILES | CC(=O)C1=C(C(=NO1)C2=CC=CC=C2)N |
Product Overview
1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)- (CAS 76390-72-2), with molecular formula C11H10N2O2 and molecular weight 202.07 g/mol. IUPAC: 1-(4-amino-3-phenyl-1,2-oxazol-5-yl)ethanone.
Chemical Property Profile of 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)-
Property Insights of 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)-
The XLogP value of 2.1264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)-. The TPSA of 69.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)-. Following Lipinski's Rule of Five, 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)- has 1 hydrogen bond donor(s) and 4 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 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)-?
The CAS number of 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)- is 76390-72-2.
What is the molecular formula of 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)-?
The molecular formula of 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)- is C11H10N2O2.
What is the molecular weight of 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)-?
The molecular weight of 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)- is 202.07 g/mol.
Where can I buy 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)-?
You can request a quote for 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethanone, 1-(4-amino-3-phenyl-5-isoxazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.