(E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 324539-29-9) is a chemical compound with molecular formula C21H18BrN7O4 and molecular weight 511.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-bromophenyl)methyl]-3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione
Also Known As: (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, 7-(3-bromobenzyl)-3-methyl-8-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione, 7-[(3-bromophenyl)methyl]-3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione, 7-[(3-bromophenyl)methyl]-3-methyl-8-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione
| Molecular Formula | C21H18BrN7O4 |
|---|---|
| Molecular Weight | 511.06 g/mol |
| LogP | 2.9784 |
| Topological Polar Surface Area | 140.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.06036 |
| Heavy Atoms | 33 |
| Complexity | 1516.6409 |
Chemical Identifiers
| CAS Number | 324539-29-9 |
|---|---|
| SMILES | C/C(=N\NC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C)/C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 324539-29-9), with molecular formula C21H18BrN7O4 and molecular weight 511.06 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.9784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 140.21 Ų indicates high polarity, suggesting (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 324539-29-9.
What is the molecular formula of (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is C21H18BrN7O4.
What is the molecular weight of (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 511.06 g/mol.
Where can I buy (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-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-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-(3-bromobenzyl)-3-methyl-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.