(E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate
TL;DR: (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate (CAS 378199-42-9) is a chemical compound with molecular formula C22H20BrNO5 and molecular weight 457.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-ethoxyphenyl] butanoate
Also Known As: (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate, [4-[(E)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-ethoxyphenyl] butanoate, [4-[[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-ethoxy-phenyl] Butanoate, 4-{(E)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-ethoxyphenyl butanoate, 4-{[2-(4-BROMOPHENYL)-5-OXO-1,3-OXAZOL-4(5H)-YLIDEN]METHYL}-2-ETHOXYPHENYL BUTYRATE
| Molecular Formula | C22H20BrNO5 |
|---|---|
| Molecular Weight | 457.05 g/mol |
| LogP | 4.8978 |
| Topological Polar Surface Area | 74.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.0525 |
| Heavy Atoms | 29 |
| Complexity | 979.1972 |
Chemical Identifiers
| CAS Number | 378199-42-9 |
|---|---|
| SMILES | CCCC(=O)OC1=C(C=C(C=C1)/C=C/2\C(=O)OC(=N2)C3=CC=C(C=C3)Br)OCC |
Product Overview
(E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate (CAS 378199-42-9), with molecular formula C22H20BrNO5 and molecular weight 457.05 g/mol. IUPAC: [4-[(E)-[2-(4-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-ethoxyphenyl] butanoate.
Chemical Property Profile of (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate
Property Insights of (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate
The XLogP value of 4.8978 indicates that (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate. Following Lipinski's Rule of Five, (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate has 0 hydrogen bond donor(s) and 6 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-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate?
The CAS number of (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate is 378199-42-9.
What is the molecular formula of (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate?
The molecular formula of (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate is C22H20BrNO5.
What is the molecular weight of (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate?
The molecular weight of (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate is 457.05 g/mol.
Where can I buy (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate?
You can request a quote for (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((2-(4-bromophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-ethoxyphenyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.