(E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 877779-01-6) is a chemical compound with molecular formula C19H16FN7O2 and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-fluorophenyl)methyl]-3-methyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione
Also Known As: (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, 7-(4-Fluoro-benzyl)-3-methyl-8-{N'-[1-pyridin-4-yl-meth-(E)-ylidene]-hydrazino}-3,7-dihydro-purine-2,6-di one, 7-(4-fluorobenzyl)-6-hydroxy-3-methyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]-3,7-dihydro-2H-purin-2-one, 7-[(4-fluorophenyl)methyl]-3-methyl-8-(2-(pyridin-4-ylmethylidene)hydrazinyl)purine-2,6-dione
| Molecular Formula | C19H16FN7O2 |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 1.4517 |
| Topological Polar Surface Area | 109.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.13495 |
| Heavy Atoms | 29 |
| Complexity | 1304.8881 |
Chemical Identifiers
| CAS Number | 877779-01-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=NC=C3)CC4=CC=C(C=C4)F |
Product Overview
(E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 877779-01-6), with molecular formula C19H16FN7O2 and molecular weight 393.13 g/mol. IUPAC: 7-[(4-fluorophenyl)methyl]-3-methyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione.
Chemical Property Profile of (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.4517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 109.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-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 (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 877779-01-6.
What is the molecular formula of (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is C19H16FN7O2.
What is the molecular weight of (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 393.13 g/mol.
Where can I buy (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)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-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-(4-fluorobenzyl)-3-methyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.