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2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure
Fine Chemical

2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

TL;DR: 2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1024315-86-3) is a chemical compound with molecular formula C29H29N3O9 and molecular weight 563.19037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

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

CAS Number
1024315-86-3
Molecular Formula
C29H29N3O9
Molecular Weight
563.19037 g/mol
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Technical Specifications

Molecular FormulaC29H29N3O9
Molecular Weight563.19037 g/mol
XLogP4.6
Topological Polar Surface Area (TPSA)133.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors10
Rotatable Bonds9
Exact Mass563.19037 Da
Heavy Atoms41
Complexity939.0
SMILESCCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=C(C(=C(C=C5)OC)OC)OC
InChIKeyUUJWSXITQVVYAS-UHFFFAOYSA-N

Chemical Property Profile of 2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

XLogP
4.6
TPSA (Topological Polar Surface Area)
133.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
10
Rotatable Bonds
9
Heavy Atoms
41
Complexity
939.0
Exact Mass
563.19037
Monoisotopic Mass
563.19037
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)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

The XLogP value of 4.6 indicates that 2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The CAS number of 2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1024315-86-3.

What is the molecular formula of 2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The molecular formula of 2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C29H29N3O9.

What is the molecular weight of 2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The molecular weight of 2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 563.19037 g/mol.

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Does CoreyChem offer custom synthesis for 2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

Yes, CoreyChem provides custom synthesis services for 2-(3-nitrophenyl)-5-(4-propoxyphenyl)-3-(2,3,4-trimethoxyphenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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