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3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione structure
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3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

TL;DR: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1024335-71-4) is a chemical compound with molecular formula C25H19BrFN3O7 and molecular weight 571.03906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Also Known As: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

CAS Number
1024335-71-4
Molecular Formula
C25H19BrFN3O7
Molecular Weight
571.03906 g/mol
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Technical Specifications

Molecular FormulaC25H19BrFN3O7
Molecular Weight571.03906 g/mol
XLogP4.6
Topological Polar Surface Area (TPSA)125.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors9
Rotatable Bonds5
Exact Mass571.03906 Da
Heavy Atoms37
Complexity885.0
SMILESCCOC1=C(C(=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)F)ON2C5=CC(=CC=C5)[N+](=O)[O-])Br)O
InChIKeyLEZXTALPEUKNBI-UHFFFAOYSA-N

Chemical Property Profile of 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

XLogP
4.6
TPSA (Topological Polar Surface Area)
125.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
9
Rotatable Bonds
5
Heavy Atoms
37
Complexity
885.0
Exact Mass
571.03906
Monoisotopic Mass
571.03906
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

The XLogP value of 4.6 indicates that 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione. Following Lipinski's Rule of Five, 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?

The CAS number of 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1024335-71-4.

What is the molecular formula of 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?

The molecular formula of 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C25H19BrFN3O7.

What is the molecular weight of 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?

The molecular weight of 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 571.03906 g/mol.

Where can I buy 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?

You can request a quote for 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione?

Yes, CoreyChem provides custom synthesis services for 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-fluorophenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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