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

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

TL;DR: 3-(4-butoxy-3-ethoxyphenyl)-5-(4-butoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1024295-41-7) is a chemical compound with molecular formula C33H38N2O6 and molecular weight 558.273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

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

CAS Number
1024295-41-7
Molecular Formula
C33H38N2O6
Molecular Weight
558.273 g/mol
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Technical Specifications

Molecular FormulaC33H38N2O6
Molecular Weight558.273 g/mol
XLogP6.8
Topological Polar Surface Area (TPSA)77.5 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds13
Exact Mass558.273 Da
Heavy Atoms41
Complexity842.0
SMILESCCCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OCCCC)OCC
InChIKeySMGNYNJBBTYXOB-UHFFFAOYSA-N

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

XLogP
6.8
TPSA (Topological Polar Surface Area)
77.5
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
13
Heavy Atoms
41
Complexity
842.0
Exact Mass
558.273
Monoisotopic Mass
558.273
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)-5-(4-butoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

The XLogP value of 6.8 indicates that 3-(4-butoxy-3-ethoxyphenyl)-5-(4-butoxyphenyl)-2-phenyl-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 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-butoxy-3-ethoxyphenyl)-5-(4-butoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 3-(4-butoxy-3-ethoxyphenyl)-5-(4-butoxyphenyl)-2-phenyl-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), which may warrant consideration for formulation optimization.

Frequently Asked Questions

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

The CAS number of 3-(4-butoxy-3-ethoxyphenyl)-5-(4-butoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1024295-41-7.

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

The molecular formula of 3-(4-butoxy-3-ethoxyphenyl)-5-(4-butoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C33H38N2O6.

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

The molecular weight of 3-(4-butoxy-3-ethoxyphenyl)-5-(4-butoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 558.273 g/mol.

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

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

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