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

TL;DR: 2-(3-nitrophenyl)-3-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1022404-84-7) is a chemical compound with molecular formula C26H23N3O6 and molecular weight 473.1587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

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

CAS Number
1022404-84-7
Molecular Formula
C26H23N3O6
Molecular Weight
473.1587 g/mol
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Technical Specifications

Molecular FormulaC26H23N3O6
Molecular Weight473.1587 g/mol
XLogP4.7
Topological Polar Surface Area (TPSA)105.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds6
Exact Mass473.1587 Da
Heavy Atoms35
Complexity788.0
SMILESCCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5
InChIKeyNMSXMQASPHSVCT-UHFFFAOYSA-N

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

XLogP
4.7
TPSA (Topological Polar Surface Area)
105.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
6
Heavy Atoms
35
Complexity
788.0
Exact Mass
473.1587
Monoisotopic Mass
473.1587
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 2-(3-nitrophenyl)-3-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

The XLogP value of 4.7 indicates that 2-(3-nitrophenyl)-3-phenyl-5-(4-propoxyphenyl)-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 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-nitrophenyl)-3-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 2-(3-nitrophenyl)-3-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

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

The CAS number of 2-(3-nitrophenyl)-3-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1022404-84-7.

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

The molecular formula of 2-(3-nitrophenyl)-3-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C26H23N3O6.

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

The molecular weight of 2-(3-nitrophenyl)-3-phenyl-5-(4-propoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 473.1587 g/mol.

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

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

Yes, CoreyChem provides custom synthesis services for 2-(3-nitrophenyl)-3-phenyl-5-(4-propoxyphenyl)-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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