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3-(4-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure
Fine Chemical

3-(4-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

TL;DR: 3-(4-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1023569-69-8) is a chemical compound with molecular formula C31H26N2O5 and molecular weight 506.18417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

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

CAS Number
1023569-69-8
Molecular Formula
C31H26N2O5
Molecular Weight
506.18417 g/mol
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Technical Specifications

Molecular FormulaC31H26N2O5
Molecular Weight506.18417 g/mol
XLogP5.5
Topological Polar Surface Area (TPSA)68.3 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds7
Exact Mass506.18417 Da
Heavy Atoms38
Complexity817.0
SMILESCOC1=CC=CC(=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OCC6=CC=CC=C6
InChIKeyMEKBXZLHXRDSEC-UHFFFAOYSA-N

Chemical Property Profile of 3-(4-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

XLogP
5.5
TPSA (Topological Polar Surface Area)
68.3
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
7
Heavy Atoms
38
Complexity
817.0
Exact Mass
506.18417
Monoisotopic Mass
506.18417
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-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

The XLogP value of 5.5 indicates that 3-(4-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-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-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, 3-(4-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-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-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The CAS number of 3-(4-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1023569-69-8.

What is the molecular formula of 3-(4-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The molecular formula of 3-(4-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C31H26N2O5.

What is the molecular weight of 3-(4-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The molecular weight of 3-(4-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 506.18417 g/mol.

Where can I buy 3-(4-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

You can request a quote for 3-(4-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-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-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

Yes, CoreyChem provides custom synthesis services for 3-(4-(benzyloxy)phenyl)-5-(3-methoxyphenyl)-2-phenyldihydro-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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