(E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 578723-58-7) is a chemical compound with molecular formula C24H23FN6O2 and molecular weight 446.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: (E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-{N'-[3,4-Dihydro-2H-naphthalen-(1E)-ylidene]-hydrazino}-1-(4-fluoro-benzyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione, 1-(4-fluorobenzyl)-3,7-dimethyl-8-(N''-tetralin-1-ylidenehydrazino)xanthine, (8E)-8-[(2E)-3,4-dihydronaphthalen-1(2H)-ylidenehydrazinylidene]-1-(4-fluorobenzyl)-3,7-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione, 8-[(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
| Molecular Formula | C24H23FN6O2 |
|---|---|
| Molecular Weight | 446.19 g/mol |
| LogP | 2.7736 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.18665 |
| Heavy Atoms | 33 |
| Complexity | 1511.2273 |
Chemical Identifiers
| CAS Number | 578723-58-7 |
|---|---|
| SMILES | CN1C2=C(N=C1N/N=C/3\CCCC4=CC=CC=C43)N(C(=O)N(C2=O)CC5=CC=C(C=C5)F)C |
Product Overview
(E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 578723-58-7), with molecular formula C24H23FN6O2 and molecular weight 446.19 g/mol. IUPAC: 8-[(2E)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of (E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.7736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-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-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-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-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 578723-58-7.
What is the molecular formula of (E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C24H23FN6O2.
What is the molecular weight of (E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 446.19 g/mol.
Where can I buy (E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-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-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-(2-(3,4-dihydronaphthalen-1(2H)-ylidene)hydrazinyl)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.