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5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione structure
Fine Chemical

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

TL;DR: 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1023804-04-7) is a chemical compound with molecular formula C33H30N2O5 and molecular weight 534.21545 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

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

CAS Number
1023804-04-7
Molecular Formula
C33H30N2O5
Molecular Weight
534.21545 g/mol
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Technical Specifications

Molecular FormulaC33H30N2O5
Molecular Weight534.21545 g/mol
XLogP5.8
Topological Polar Surface Area (TPSA)68.3 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds9
Exact Mass534.21545 Da
Heavy Atoms40
Complexity850.0
SMILESCCOC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC=CC=C5)OCC6=CC=CC=C6
InChIKeyYINPECOMZDAIRL-UHFFFAOYSA-N

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

XLogP
5.8
TPSA (Topological Polar Surface Area)
68.3
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
9
Heavy Atoms
40
Complexity
850.0
Exact Mass
534.21545
Monoisotopic Mass
534.21545
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 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

The XLogP value of 5.8 indicates that 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-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 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-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 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

The CAS number of 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1023804-04-7.

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

The molecular formula of 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C33H30N2O5.

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

The molecular weight of 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 534.21545 g/mol.

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

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

Yes, CoreyChem provides custom synthesis services for 5-benzyl-3-(3-ethoxy-4-phenylmethoxyphenyl)-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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