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

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

TL;DR: 3-(3-ethoxy-4-phenylmethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1023330-42-8) is a chemical compound with molecular formula C27H25FN2O5 and molecular weight 476.17474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

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

CAS Number
1023330-42-8
Molecular Formula
C27H25FN2O5
Molecular Weight
476.17474 g/mol
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Technical Specifications

Molecular FormulaC27H25FN2O5
Molecular Weight476.17474 g/mol
XLogP4.2
Topological Polar Surface Area (TPSA)68.3 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds7
Exact Mass476.17474 Da
Heavy Atoms35
Complexity754.0
SMILESCCOC1=C(C=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)F)ON2C)OCC5=CC=CC=C5
InChIKeyDUSXTIOBMSQWOZ-UHFFFAOYSA-N

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

XLogP
4.2
TPSA (Topological Polar Surface Area)
68.3
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
7
Heavy Atoms
35
Complexity
754.0
Exact Mass
476.17474
Monoisotopic Mass
476.17474
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-(3-ethoxy-4-phenylmethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

The XLogP value of 4.2 indicates that 3-(3-ethoxy-4-phenylmethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-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 3-(3-ethoxy-4-phenylmethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, 3-(3-ethoxy-4-phenylmethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-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), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 3-(3-ethoxy-4-phenylmethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

The CAS number of 3-(3-ethoxy-4-phenylmethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1023330-42-8.

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

The molecular formula of 3-(3-ethoxy-4-phenylmethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C27H25FN2O5.

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

The molecular weight of 3-(3-ethoxy-4-phenylmethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 476.17474 g/mol.

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

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

Yes, CoreyChem provides custom synthesis services for 3-(3-ethoxy-4-phenylmethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-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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