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3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure
Fine Chemical

3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

TL;DR: 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1022074-02-7) is a chemical compound with molecular formula C30H32N2O5 and molecular weight 500.2311 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

Also Known As: 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(4-butoxy-3-ethoxyphenyl)-5-(3-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-(4-butoxy-3-ethoxyphenyl)-5-(3-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

CAS Number
1022074-02-7
Molecular Formula
C30H32N2O5
Molecular Weight
500.2311 g/mol
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Technical Specifications

Molecular FormulaC30H32N2O5
Molecular Weight500.2311 g/mol
XLogP6.0
Topological Polar Surface Area (TPSA)68.3 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds9
Exact Mass500.2311 Da
Heavy Atoms37
Complexity786.0
SMILESCCCCOC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC(=C4)C)ON2C5=CC=CC=C5)OCC
InChIKeyWSGXYDUGBGMQTN-UHFFFAOYSA-N

Chemical Property Profile of 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

XLogP
6.0
TPSA (Topological Polar Surface Area)
68.3
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
9
Heavy Atoms
37
Complexity
786.0
Exact Mass
500.2311
Monoisotopic Mass
500.2311
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-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

The XLogP value of 6.0 indicates that 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)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 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The CAS number of 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1022074-02-7.

What is the molecular formula of 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The molecular formula of 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C30H32N2O5.

What is the molecular weight of 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The molecular weight of 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 500.2311 g/mol.

Where can I buy 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

You can request a quote for 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

Yes, CoreyChem provides custom synthesis services for 3-(4-butoxy-3-ethoxyphenyl)-2-phenyl-5-(m-tolyl)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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