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

TL;DR: 5-(3-methylphenyl)-2-phenyl-3-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1005188-34-0) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

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

Also Known As: 5-(3-methylphenyl)-2-phenyl-3-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-Phenyl-3-propyl-5-m-tolyl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione, 5-(3-methylphenyl)-2-phenyl-3-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 2-phenyl-3-propyl-5-(m-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione

CAS Number
1005188-34-0
Molecular Formula
C21H22N2O3
Molecular Weight
350.16306 g/mol
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Technical Specifications

Molecular FormulaC21H22N2O3
Molecular Weight350.16306 g/mol
XLogP4.2
Topological Polar Surface Area (TPSA)49.9 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds4
Exact Mass350.16306 Da
Heavy Atoms26
Complexity545.0
SMILESCCCC1C2C(C(=O)N(C2=O)C3=CC=CC(=C3)C)ON1C4=CC=CC=C4
InChIKeyFKHMQZHODLLQGM-UHFFFAOYSA-N

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

XLogP
4.2
TPSA (Topological Polar Surface Area)
49.9
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
4
Heavy Atoms
26
Complexity
545.0
Exact Mass
350.16306
Monoisotopic Mass
350.16306
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-(3-methylphenyl)-2-phenyl-3-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

The XLogP value of 4.2 indicates that 5-(3-methylphenyl)-2-phenyl-3-propyl-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. With a topological polar surface area (TPSA) of 49.9 Ų, 5-(3-methylphenyl)-2-phenyl-3-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-methylphenyl)-2-phenyl-3-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 5-(3-methylphenyl)-2-phenyl-3-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione?

The CAS number of 5-(3-methylphenyl)-2-phenyl-3-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1005188-34-0.

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

The molecular formula of 5-(3-methylphenyl)-2-phenyl-3-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is C21H22N2O3.

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

The molecular weight of 5-(3-methylphenyl)-2-phenyl-3-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione is 350.16306 g/mol.

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

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

Yes, CoreyChem provides custom synthesis services for 5-(3-methylphenyl)-2-phenyl-3-propyl-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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