![4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone structure](/static/products/444/444794-10-9.png)
4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone
TL;DR: 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone (CAS 444794-10-9) is a chemical compound with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-aminophenyl)iminomethyl]-3-phenyl-2H-1,2-oxazol-5-one
Also Known As: 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone, AJ-030/14523449, 4-[(4-aminoanilino)methylidene]-3-phenyl-1,2-oxazol-5-one, 4-[(4-aminophenyl)iminomethyl]-3-phenyl-2H-1,2-oxazol-5-one, (4Z)-4-[(4-aminoanilino)methylidene]-3-phenyl-1,2-oxazol-5-one
| Molecular Formula | C16H13N3O2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 2.9677 |
| Topological Polar Surface Area | 84.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.10077 |
| Heavy Atoms | 21 |
| Complexity | 814.73334 |
Chemical Identifiers
| CAS Number | 444794-10-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)ON2)C=NC3=CC=C(C=C3)N |
Product Overview
4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone (CAS 444794-10-9), with molecular formula C16H13N3O2 and molecular weight 279.10 g/mol. IUPAC: 4-[(4-aminophenyl)iminomethyl]-3-phenyl-2H-1,2-oxazol-5-one.
Chemical Property Profile of 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone
Property Insights of 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone
The XLogP value of 2.9677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone. The TPSA of 84.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone. Following Lipinski's Rule of Five, 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone has 2 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 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone?
The CAS number of 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone is 444794-10-9.
What is the molecular formula of 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone?
The molecular formula of 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone is C16H13N3O2.
What is the molecular weight of 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone?
The molecular weight of 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone is 279.10 g/mol.
Where can I buy 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone?
You can request a quote for 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-aminoanilino)methylene]-3-phenyl-5(4H)-isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.