![8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/303/303971-49-5.png)
8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 303971-49-5) is a chemical compound with molecular formula C22H18BrClN6O2 and molecular weight 512.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-((E)-2-((Z)-2-bromo-3-phenylallylidene)hydrazinyl)-7-(4-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H18BrClN6O2 |
|---|---|
| Molecular Weight | 512.04 g/mol |
| LogP | 3.9587 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.0363 |
| Heavy Atoms | 32 |
| Complexity | 1435.8003 |
Chemical Identifiers
| CAS Number | 303971-49-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C(=C/C3=CC=CC=C3)/Br)CC4=CC=C(C=C4)Cl |
Product Overview
8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 303971-49-5), with molecular formula C22H18BrClN6O2 and molecular weight 512.04 g/mol. IUPAC: 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.9587 indicates that 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 303971-49-5.
What is the molecular formula of 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C22H18BrClN6O2.
What is the molecular weight of 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 512.04 g/mol.
Where can I buy 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.