(E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one
TL;DR: (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one (CAS 3906-00-1) is a chemical compound with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
Also Known As: (4E)-4-[(4-dimethylaminophenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one, (4E)-4-[4-(dimethylamino)benzylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5(4H)-one, (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one
| Molecular Formula | C21H22N2O5 |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 3.1229 |
| Topological Polar Surface Area | 69.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.15286 |
| Heavy Atoms | 28 |
| Complexity | 920.7634 |
Chemical Identifiers
| CAS Number | 3906-00-1 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)OC(=N2)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
(E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one (CAS 3906-00-1), with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol. IUPAC: (4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one.
Chemical Property Profile of (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one
Property Insights of (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one
The XLogP value of 3.1229 indicates that (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.59 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one. Following Lipinski's Rule of Five, (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one has 0 hydrogen bond donor(s) and 7 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-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one?
The CAS number of (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one is 3906-00-1.
What is the molecular formula of (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one?
The molecular formula of (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one is C21H22N2O5.
What is the molecular weight of (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one?
The molecular weight of (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one is 382.15 g/mol.
Where can I buy (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one?
You can request a quote for (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-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-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(4-(dimethylamino)benzylidene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.