![4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone structure](/static/products/5272/5272-46-8.webp)
4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone
TL;DR: 4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone (CAS 5272-46-8) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one
Also Known As: Maybridge1_003311, 4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone, (4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one, (4Z)-4-[(dimethylamino)methylidene]-3-phenyl-4,5-dihydro-1,2-oxazol-5-one, (4Z)-4-(dimethylaminomethylene)-3-phenyl-isoxazol-5-one
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 5272-46-8 |
|---|---|
| SMILES | CN(C)/C=C\1/C(=NOC1=O)C2=CC=CC=C2 |
| InChIKey | SAAHHEOMOHOCNQ-NTMALXAHSA-N |
Product Overview
4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone (CAS 5272-46-8), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: (4Z)-4-(dimethylaminomethylidene)-3-phenyl-1,2-oxazol-5-one.
Chemical Property Profile of 4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone
Property Insights of 4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone. With a topological polar surface area (TPSA) of 41.9 Ų, 4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone has 0 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-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone?
The CAS number of 4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone is 5272-46-8.
What is the molecular formula of 4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone?
The molecular formula of 4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone is C12H12N2O2.
What is the molecular weight of 4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone?
The molecular weight of 4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone is 216.09 g/mol.
Where can I buy 4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone?
You can request a quote for 4-[(dimethylamino)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-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 4-[(dimethylamino)methylene]-3-phenyl-5(4H)-isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.