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

TL;DR: 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1023006-15-6) is a chemical compound with molecular formula C31H34N2O6 and molecular weight 530.2417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

CAS Number
1023006-15-6
Molecular Formula
C31H34N2O6
Molecular Weight
530.2417 g/mol
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Technical Specifications

Molecular FormulaC31H34N2O6
Molecular Weight530.2417 g/mol
XLogP5.9
Topological Polar Surface Area (TPSA)77.5 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds11
Exact Mass530.2417 Da
Heavy Atoms39
Complexity819.0
SMILESCCCCOC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)OCC)ON2C5=CC=CC=C5)OCC
InChIKeyWZVOTJPLDFAAHD-UHFFFAOYSA-N

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

XLogP
5.9
TPSA (Topological Polar Surface Area)
77.5
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
11
Heavy Atoms
39
Complexity
819.0
Exact Mass
530.2417
Monoisotopic Mass
530.2417
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-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

The XLogP value of 5.9 indicates that 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-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-(3-ethoxyphenyl)-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-(3-ethoxyphenyl)-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-(3-ethoxyphenyl)-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-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1023006-15-6.

What is the molecular formula of 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-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-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C31H34N2O6.

What is the molecular weight of 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-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-(3-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 530.2417 g/mol.

Where can I buy 3-(4-butoxy-3-ethoxyphenyl)-5-(3-ethoxyphenyl)-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-(3-ethoxyphenyl)-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-(3-ethoxyphenyl)-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-(3-ethoxyphenyl)-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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