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3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure
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3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

TL;DR: 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1022370-67-7) is a chemical compound with molecular formula C32H36N2O4 and molecular weight 512.2675 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

Also Known As: 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-(4-methylphenyl)-8-(4-octoxyphenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione, 5-(4-methylphenyl)-3-(4-octoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-methylphenyl)-3-[4-(octyloxy)phenyl]-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

CAS Number
1022370-67-7
Molecular Formula
C32H36N2O4
Molecular Weight
512.2675 g/mol
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Technical Specifications

Molecular FormulaC32H36N2O4
Molecular Weight512.2675 g/mol
XLogP7.8
Topological Polar Surface Area (TPSA)59.1 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors5
Rotatable Bonds11
Exact Mass512.2675 Da
Heavy Atoms38
Complexity767.0
SMILESCCCCCCCCOC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C)ON2C5=CC=CC=C5
InChIKeyCEDHVXMBSQRJTQ-UHFFFAOYSA-N

Chemical Property Profile of 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

XLogP
7.8
TPSA (Topological Polar Surface Area)
59.1
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
11
Heavy Atoms
38
Complexity
767.0
Exact Mass
512.2675
Monoisotopic Mass
512.2675
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-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

The XLogP value of 7.8 indicates that 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The CAS number of 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1022370-67-7.

What is the molecular formula of 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The molecular formula of 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C32H36N2O4.

What is the molecular weight of 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

The molecular weight of 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 512.2675 g/mol.

Where can I buy 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

You can request a quote for 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-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-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?

Yes, CoreyChem provides custom synthesis services for 3-(4-(octyloxy)phenyl)-2-phenyl-5-(p-tolyl)dihydro-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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