(E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one
TL;DR: (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one (CAS 445250-00-0) is a chemical compound with molecular formula C23H17BrFNO4S and molecular weight 501.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
Also Known As: (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one
| Molecular Formula | C23H17BrFNO4S |
|---|---|
| Molecular Weight | 501.00 g/mol |
| LogP | 5.9719 |
| Topological Polar Surface Area | 57.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.00458 |
| Heavy Atoms | 31 |
| Complexity | 1174.3245 |
Chemical Identifiers
| CAS Number | 445250-00-0 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)OC(=N2)C3=CC=CS3)Br)OCC4=CC=CC=C4F |
Product Overview
(E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one (CAS 445250-00-0), with molecular formula C23H17BrFNO4S and molecular weight 501.00 g/mol. IUPAC: (4E)-4-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one.
Chemical Property Profile of (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one
Property Insights of (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one
The XLogP value of 5.9719 indicates that (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-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, (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one?
The CAS number of (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one is 445250-00-0.
What is the molecular formula of (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one?
The molecular formula of (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one is C23H17BrFNO4S.
What is the molecular weight of (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one?
The molecular weight of (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one is 501.00 g/mol.
Where can I buy (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one?
You can request a quote for (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)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-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(3-Bromo-5-ethoxy-4-((2-fluorobenzyl)oxy)benzylidene)-2-(thiophen-2-yl)oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.