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(3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione structure
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(3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

TL;DR: (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1212406-99-9) is a chemical compound with molecular formula C17H11BrN2O3 and molecular weight 369.9953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

Also Known As: (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione, (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

CAS Number
1212406-99-9
Molecular Formula
C17H11BrN2O3
Molecular Weight
369.9953 g/mol
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Technical Specifications

Molecular FormulaC17H11BrN2O3
Molecular Weight369.9953 g/mol
XLogP3.4
Topological Polar Surface Area (TPSA)59.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds2
Exact Mass369.9953 Da
Heavy Atoms23
Complexity536.0
SMILESC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)Br
InChIKeyYPDRASQSXVWKSJ-HIFRSBDPSA-N

Chemical Property Profile of (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

XLogP
3.4
TPSA (Topological Polar Surface Area)
59.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
2
Heavy Atoms
23
Complexity
536.0
Exact Mass
369.9953
Monoisotopic Mass
369.9953
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 (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

The XLogP value of 3.4 indicates that (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[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 59.0 Ų, (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[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, (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?

The CAS number of (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1212406-99-9.

What is the molecular formula of (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?

The molecular formula of (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is C17H11BrN2O3.

What is the molecular weight of (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?

The molecular weight of (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is 369.9953 g/mol.

Where can I buy (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?

You can request a quote for (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[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 (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?

Yes, CoreyChem provides custom synthesis services for (3aR,6aS)-3-(4-bromophenyl)-5-phenyl-3a,6a-dihydropyrrolo[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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