2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione
TL;DR: 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione (CAS 489444-10-2) is a chemical compound with molecular formula C30H21BrN4O2 and molecular weight 548.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methylphenyl]methyl]isoindole-1,3-dione
Also Known As: 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione, 2-[[5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methylphenyl]methyl]isoindole-1,3-dione, 2-(5-{(4Z)-4-[(3-bromophenyl)imino]-3,4-dihydrophthalazin-1-yl}-2-methylbenzyl)-1H-isoindole-1,3(2H)-dione, 2-[[5-[4-[(3-bromophenyl)amino]phthalazin-1-yl]-2-methyl-phenyl]methyl]isoindole-1,3-dione
| Molecular Formula | C30H21BrN4O2 |
|---|---|
| Molecular Weight | 548.08 g/mol |
| LogP | 6.90752 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 548.0848 |
| Heavy Atoms | 37 |
| Complexity | 1680.9213 |
Chemical Identifiers
| CAS Number | 489444-10-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Br)CN5C(=O)C6=CC=CC=C6C5=O |
Product Overview
2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione (CAS 489444-10-2), with molecular formula C30H21BrN4O2 and molecular weight 548.08 g/mol. IUPAC: 2-[[5-[4-(3-bromoanilino)phthalazin-1-yl]-2-methylphenyl]methyl]isoindole-1,3-dione.
Chemical Property Profile of 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione
Property Insights of 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione
The XLogP value of 6.90752 indicates that 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione?
The CAS number of 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione is 489444-10-2.
What is the molecular formula of 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione?
The molecular formula of 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione is C30H21BrN4O2.
What is the molecular weight of 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione?
The molecular weight of 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione is 548.08 g/mol.
Where can I buy 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione?
You can request a quote for 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-(4-((3-bromophenyl)amino)phthalazin-1-yl)-2-methylbenzyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.