(E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate
TL;DR: (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate (CAS 585556-19-0) is a chemical compound with molecular formula C26H21FN6O5 and molecular weight 516.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Also Known As: (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate, [4-[(E)-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate, 4-[(E)-{(2E)-[7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6,7,9-hexahydro-8H-purin-8-ylidene]hydrazinylidene}methyl]phenyl furan-2-carboxylate, Furan-2-carboxylic acid 4-{[7-(4-fluoro-benzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-hydrazonomethyl}-phenyl ester
| Molecular Formula | C26H21FN6O5 |
|---|---|
| Molecular Weight | 516.16 g/mol |
| LogP | 2.8793 |
| Topological Polar Surface Area | 125.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.15576 |
| Heavy Atoms | 38 |
| Complexity | 1764.9674 |
Chemical Identifiers
| CAS Number | 585556-19-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CO4)CC5=CC=C(C=C5)F |
Product Overview
(E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate (CAS 585556-19-0), with molecular formula C26H21FN6O5 and molecular weight 516.16 g/mol. IUPAC: [4-[(E)-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate.
Chemical Property Profile of (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate
Property Insights of (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate
The XLogP value of 2.8793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate. The TPSA of 125.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate. Following Lipinski's Rule of Five, (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate?
The CAS number of (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate is 585556-19-0.
What is the molecular formula of (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate?
The molecular formula of (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate is C26H21FN6O5.
What is the molecular weight of (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate?
The molecular weight of (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate is 516.16 g/mol.
Where can I buy (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate?
You can request a quote for (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((2-(7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)phenyl furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.