4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one
TL;DR: 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one (CAS 1164546-98-8) is a chemical compound with molecular formula C18H15NO4 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
Also Known As: BAS 00477557, 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one, (4E)-3-phenyl-4-veratrylidene-2-isoxazolin-5-one, 4-(3,4-dimethoxybenzylidene)-3-phenyl-5(4H)-isoxazolone, (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
| Molecular Formula | C18H15NO4 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 3.0483 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.1001 |
| Heavy Atoms | 23 |
| Complexity | 793.9238 |
Chemical Identifiers
| CAS Number | 1164546-98-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/2\C(=NOC2=O)C3=CC=CC=C3)OC |
Product Overview
4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one (CAS 1164546-98-8), with molecular formula C18H15NO4 and molecular weight 309.10 g/mol. IUPAC: (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one.
Chemical Property Profile of 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one
Property Insights of 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one
The XLogP value of 3.0483 indicates that 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.12 Ų, 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one has 0 hydrogen bond donor(s) and 5 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-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one?
The CAS number of 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one is 1164546-98-8.
What is the molecular formula of 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one?
The molecular formula of 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one is C18H15NO4.
What is the molecular weight of 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one?
The molecular weight of 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one is 309.10 g/mol.
Where can I buy 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one?
You can request a quote for 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethoxy-benzylidene)-3-phenyl-4H-isoxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.