(E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 585549-40-2) is a chemical compound with molecular formula C22H17BrClN7O3 and molecular weight 541.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-[(4-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, (8E)-8-[(2E)-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinylidene]-1-(4-chlorobenzyl)-3,7-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione, 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-1-[(4-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
| Molecular Formula | C22H17BrClN7O3 |
|---|---|
| Molecular Weight | 541.03 g/mol |
| LogP | 4.5002 |
| Topological Polar Surface Area | 122.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 541.0265 |
| Heavy Atoms | 34 |
| Complexity | 1728.6287 |
Chemical Identifiers
| CAS Number | 585549-40-2 |
|---|---|
| SMILES | CN1C2=C(N=C1N=NC3=C(NC4=C3C=C(C=C4)Br)O)N(C(=O)N(C2=O)CC5=CC=C(C=C5)Cl)C |
Product Overview
(E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 585549-40-2), with molecular formula C22H17BrClN7O3 and molecular weight 541.03 g/mol. IUPAC: 8-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-[(4-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 4.5002 indicates that (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.56 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 585549-40-2.
What is the molecular formula of (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C22H17BrClN7O3.
What is the molecular weight of (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 541.03 g/mol.
Where can I buy (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.