(E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 536718-89-5) 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.
8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, F1144-0076, 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 5-BROMO-2-METHOXYBENZALDEHYDE [3-METHYL-7-(4-METHYLBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]HYDRAZONE, 8-[(2E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-6-hydroxy-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C22H21BrN6O3 |
|---|---|
| Molecular Weight | 496.09 g/mol |
| LogP | 2.99712 |
| Topological Polar Surface Area | 106.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.08585 |
| Heavy Atoms | 32 |
| Complexity | 1433.3114 |
Chemical Identifiers
| CAS Number | 536718-89-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2N/N=C/C4=C(C=CC(=C4)Br)OC)N(C(=O)NC3=O)C |
Product Overview
(E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 536718-89-5), with molecular formula C22H21BrN6O3 and molecular weight 496.09 g/mol. IUPAC: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.99712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 106.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione has 2 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)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 536718-89-5.
What is the molecular formula of (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is C22H21BrN6O3.
What is the molecular weight of (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 496.09 g/mol.
Where can I buy (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-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-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.