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5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione structure
Fine Chemical

5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

TL;DR: 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1022746-30-0) is a chemical compound with molecular formula C26H20BrN3O3 and molecular weight 501.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Also Known As: 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

CAS Number
1022746-30-0
Molecular Formula
C26H20BrN3O3
Molecular Weight
501.0688 g/mol
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Technical Specifications

Molecular FormulaC26H20BrN3O3
Molecular Weight501.0688 g/mol
XLogP5.3
Topological Polar Surface Area (TPSA)65.6 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors4
Rotatable Bonds3
Exact Mass501.0688 Da
Heavy Atoms33
Complexity766.0
SMILESCC1=C(C2=CC=CC=C2N1)C3C4C(C(=O)N(C4=O)C5=CC=C(C=C5)Br)ON3C6=CC=CC=C6
InChIKeyZNEGYHPAXNBYEZ-UHFFFAOYSA-N

Chemical Property Profile of 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

XLogP
5.3
TPSA (Topological Polar Surface Area)
65.6
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
33
Complexity
766.0
Exact Mass
501.0688
Monoisotopic Mass
501.0688
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 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

The XLogP value of 5.3 indicates that 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

The CAS number of 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1022746-30-0.

What is the molecular formula of 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

The molecular formula of 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C26H20BrN3O3.

What is the molecular weight of 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

The molecular weight of 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 501.0688 g/mol.

Where can I buy 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

You can request a quote for 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

Yes, CoreyChem provides custom synthesis services for 5-(4-bromophenyl)-3-(2-methyl-1H-indol-3-yl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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