(E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 714921-49-0) is a chemical compound with molecular formula C22H21BrN6O3 and molecular weight 496.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-bromophenyl)methyl]-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
Also Known As: (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, (8E)-7-(4-bromobenzyl)-8-[(2E)-(4-methoxybenzylidene)hydrazinylidene]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione, 7-[(4-bromophenyl)methyl]-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C22H21BrN6O3 |
|---|---|
| Molecular Weight | 496.09 g/mol |
| LogP | 2.6991 |
| Topological Polar Surface Area | 95.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.08585 |
| Heavy Atoms | 32 |
| Complexity | 1416.0614 |
Chemical Identifiers
| CAS Number | 714921-49-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=C(C=C3)OC)CC4=CC=C(C=C4)Br |
Product Overview
(E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 714921-49-0), with molecular formula C22H21BrN6O3 and molecular weight 496.09 g/mol. IUPAC: 7-[(4-bromophenyl)methyl]-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.6991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 95.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 714921-49-0.
What is the molecular formula of (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C22H21BrN6O3.
What is the molecular weight of (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 496.09 g/mol.
Where can I buy (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-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)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-(4-bromobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.