(E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one
TL;DR: (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one (CAS 1164523-92-5) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-1,2-oxazol-5-one
Also Known As: (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one, (4E)-4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-1,2-oxazol-5-one, 4-[1-(4-Diethylamino-phenyl)-meth-(E)-ylidene]-3-methyl-4H-isoxazol-5-one
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 1164523-92-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=NOC2=O)C |
| InChIKey | FANCHKKMSCVJOD-GXDHUFHOSA-N |
Product Overview
(E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one (CAS 1164523-92-5), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: (4E)-4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-1,2-oxazol-5-one.
Chemical Property Profile of (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one
Property Insights of (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one
The XLogP value of 3.1 indicates that (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one 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 (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one?
The CAS number of (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one is 1164523-92-5.
What is the molecular formula of (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one?
The molecular formula of (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one is C15H18N2O2.
What is the molecular weight of (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one?
The molecular weight of (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one is 258.14 g/mol.
Where can I buy (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one?
You can request a quote for (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.