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

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

TL;DR: 3-(4-hydroxyphenyl)-2-(3-nitrophenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione (CAS 1024083-31-5) is a chemical compound with molecular formula C23H16N4O8 and molecular weight 476.0968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

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

CAS Number
1024083-31-5
Molecular Formula
C23H16N4O8
Molecular Weight
476.0968 g/mol
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Technical Specifications

Molecular FormulaC23H16N4O8
Molecular Weight476.0968 g/mol
XLogP3.3
Topological Polar Surface Area (TPSA)162.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors9
Rotatable Bonds3
Exact Mass476.0968 Da
Heavy Atoms35
Complexity859.0
SMILESC1=CC(=CC(=C1)[N+](=O)[O-])N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)O
InChIKeyHTIGCRRTALNJER-UHFFFAOYSA-N

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

XLogP
3.3
TPSA (Topological Polar Surface Area)
162.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
9
Rotatable Bonds
3
Heavy Atoms
35
Complexity
859.0
Exact Mass
476.0968
Monoisotopic Mass
476.0968
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-(4-hydroxyphenyl)-2-(3-nitrophenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

The XLogP value of 3.3 indicates that 3-(4-hydroxyphenyl)-2-(3-nitrophenyl)-5-(4-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 162.0 Ų indicates high polarity, suggesting 3-(4-hydroxyphenyl)-2-(3-nitrophenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(4-hydroxyphenyl)-2-(3-nitrophenyl)-5-(4-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), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

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

The CAS number of 3-(4-hydroxyphenyl)-2-(3-nitrophenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 1024083-31-5.

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

The molecular formula of 3-(4-hydroxyphenyl)-2-(3-nitrophenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is C23H16N4O8.

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

The molecular weight of 3-(4-hydroxyphenyl)-2-(3-nitrophenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione is 476.0968 g/mol.

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

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

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