![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](/static/products/102/1022574-13-5.png)
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 540.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C35H28N2O4 |
|---|---|
| Molecular Weight | 540.20 g/mol |
| LogP | 5.47634 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 540.2049 |
| Heavy Atoms | 41 |
| Complexity | 1731.4756 |
Chemical Identifiers
| CAS Number | 1022574-13-5 |
|---|---|
| SMILES | CC1=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 |
Product Overview
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), with molecular formula C35H28N2O4 and molecular weight 540.20 g/mol. IUPAC: 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.
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
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 5.47634 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 74.76 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
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 540.20 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?
You can request a quote 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 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO 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, KEHONG BIO 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.