8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 685106-31-4) is a chemical compound with molecular formula C18H18BrClN6O3 and molecular weight 480.03 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]-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione
Also Known As: 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F1064-0158, 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione, 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H18BrClN6O3 |
|---|---|
| Molecular Weight | 480.03 g/mol |
| LogP | 2.783 |
| Topological Polar Surface Area | 106.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.03122 |
| Heavy Atoms | 29 |
| Complexity | 1236.8479 |
Chemical Identifiers
| CAS Number | 685106-31-4 |
|---|---|
| SMILES | C/C(=C/CN1C2=C(N=C1N/N=C/C3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C)/Cl |
Product Overview
8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 685106-31-4), with molecular formula C18H18BrClN6O3 and molecular weight 480.03 g/mol. IUPAC: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 106.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-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 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 685106-31-4.
What is the molecular formula of 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C18H18BrClN6O3.
What is the molecular weight of 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 480.03 g/mol.
Where can I buy 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-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 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.