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9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone structure
Fine Chemical

9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone

TL;DR: 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone (CAS 1022574-13-5) is a chemical compound with molecular formula C35H28N2O4 and molecular weight 540.2049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

15-methyl-6-[(4-methylphenyl)methyl]-4,9-diphenyl-4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene-3,5,8,10-tetrone

Also Known As: 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone, 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-6a,10b-dihydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,3aH,3bH,5H)-tetraone

CAS Number
1022574-13-5
Molecular Formula
C35H28N2O4
Molecular Weight
540.2049 g/mol
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Technical Specifications

Molecular FormulaC35H28N2O4
Molecular Weight540.2049 g/mol
XLogP5.2
Topological Polar Surface Area (TPSA)74.8 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds4
Exact Mass540.2049 Da
Heavy Atoms41
Complexity1070.0
SMILESCC1=CC=C(C=C1)CC23C4C(C5=C(C2C(=O)N(C3=O)C6=CC=CC=C6)C=C(C=C5)C)C(=O)N(C4=O)C7=CC=CC=C7
InChIKeyRDUJXVQDUNXXIU-UHFFFAOYSA-N

Chemical Property Profile of 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone

XLogP
5.2
TPSA (Topological Polar Surface Area)
74.8
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
4
Heavy Atoms
41
Complexity
1070.0
Exact Mass
540.2049
Monoisotopic Mass
540.2049
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 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone

The XLogP value of 5.2 indicates that 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone. Following Lipinski's Rule of Five, 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone?

The CAS number of 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone is 1022574-13-5.

What is the molecular formula of 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone?

The molecular formula of 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone is C35H28N2O4.

What is the molecular weight of 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone?

The molecular weight of 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone is 540.2049 g/mol.

Where can I buy 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone?

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Does CoreyChem offer custom synthesis for 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone?

Yes, CoreyChem provides custom synthesis services for 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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