(E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 685106-28-9) is a chemical compound with molecular formula C21H19BrN6O2 and molecular weight 466.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-benzylidenehydrazinyl]-7-[(3-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, F1064-0148, 8-[(2E)-2-benzylidenehydrazinyl]-7-[(3-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[(E)-2-(phenylmethylidene)hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(2-benzylidenehydrazinyl)-7-[(3-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione
| Molecular Formula | C21H19BrN6O2 |
|---|---|
| Molecular Weight | 466.08 g/mol |
| LogP | 2.6905 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.0753 |
| Heavy Atoms | 30 |
| Complexity | 1368.2634 |
Chemical Identifiers
| CAS Number | 685106-28-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=CC=C3)CC4=CC(=CC=C4)Br |
Product Overview
(E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 685106-28-9), with molecular formula C21H19BrN6O2 and molecular weight 466.08 g/mol. IUPAC: 8-[(2E)-2-benzylidenehydrazinyl]-7-[(3-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.6905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 5 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-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 685106-28-9.
What is the molecular formula of (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C21H19BrN6O2.
What is the molecular weight of (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 466.08 g/mol.
Where can I buy (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-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)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-(2-benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.