![4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate structure](/static/products/5857/5857-01-2.webp)
4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate
TL;DR: 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate (CAS 5857-01-2) is a chemical compound with molecular formula C24H13BrClNO6 and molecular weight 524.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-[[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
Also Known As: 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate, [4-bromo-2-[[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
| Molecular Formula | C24H13BrClNO6 |
|---|---|
| Molecular Weight | 524.96 g/mol |
| LogP | 5.3949 |
| Topological Polar Surface Area | 83.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 524.9615 |
| Heavy Atoms | 33 |
| Complexity | 1366.8104 |
Chemical Identifiers
| CAS Number | 5857-01-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)OC3=C(C=C(C=C3)Br)C=C4C(=O)OC(=N4)C5=CC=CC=C5Cl |
Product Overview
4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate (CAS 5857-01-2), with molecular formula C24H13BrClNO6 and molecular weight 524.96 g/mol. IUPAC: [4-bromo-2-[[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate
Property Insights of 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate
The XLogP value of 5.3949 indicates that 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate. Following Lipinski's Rule of Five, 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate?
The CAS number of 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate is 5857-01-2.
What is the molecular formula of 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate?
The molecular formula of 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate is C24H13BrClNO6.
What is the molecular weight of 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate?
The molecular weight of 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate is 524.96 g/mol.
Where can I buy 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate?
You can request a quote for 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-{[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2H-1,3-benzodioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.