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

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

TL;DR: 3-(3-bromophenyl)-5-(3,5-dimethylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1022844-90-1) is a chemical compound with molecular formula C25H21BrN2O3 and molecular weight 476.07355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

Also Known As: 3-(3-bromophenyl)-5-(3,5-dimethylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(3-bromophenyl)-5-(3,5-dimethylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 3-(3-bromophenyl)-5-(3,5-dimethylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 8-(3-bromophenyl)-3-(3,5-dimethylphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione

CAS Number
1022844-90-1
Molecular Formula
C25H21BrN2O3
Molecular Weight
476.07355 g/mol
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Technical Specifications

Molecular FormulaC25H21BrN2O3
Molecular Weight476.07355 g/mol
XLogP5.5
Topological Polar Surface Area (TPSA)49.9 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds3
Exact Mass476.07355 Da
Heavy Atoms31
Complexity686.0
SMILESCC1=CC(=CC(=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Br)C
InChIKeyUEVQERKSIRJSAR-UHFFFAOYSA-N

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

XLogP
5.5
TPSA (Topological Polar Surface Area)
49.9
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
31
Complexity
686.0
Exact Mass
476.07355
Monoisotopic Mass
476.07355
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-bromophenyl)-5-(3,5-dimethylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

The XLogP value of 5.5 indicates that 3-(3-bromophenyl)-5-(3,5-dimethylphenyl)-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. With a topological polar surface area (TPSA) of 49.9 Ų, 3-(3-bromophenyl)-5-(3,5-dimethylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-bromophenyl)-5-(3,5-dimethylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 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 3-(3-bromophenyl)-5-(3,5-dimethylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

The CAS number of 3-(3-bromophenyl)-5-(3,5-dimethylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1022844-90-1.

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

The molecular formula of 3-(3-bromophenyl)-5-(3,5-dimethylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C25H21BrN2O3.

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

The molecular weight of 3-(3-bromophenyl)-5-(3,5-dimethylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 476.07355 g/mol.

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

You can request a quote for 3-(3-bromophenyl)-5-(3,5-dimethylphenyl)-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 3-(3-bromophenyl)-5-(3,5-dimethylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

Yes, CoreyChem provides custom synthesis services for 3-(3-bromophenyl)-5-(3,5-dimethylphenyl)-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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