(E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 716331-91-8) is a chemical compound with molecular formula C20H18ClN7O2 and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione
Also Known As: (E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, (8E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-[(2E)-(pyridin-4-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione, 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(2-(pyridin-4-ylmethylidene)hydrazinyl)purine-2,6-dione, 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione
| Molecular Formula | C20H18ClN7O2 |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 1.9764 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.12106 |
| Heavy Atoms | 30 |
| Complexity | 1369.9219 |
Chemical Identifiers
| CAS Number | 716331-91-8 |
|---|---|
| SMILES | CN1C2=C(N=C1N/N=C/C3=CC=NC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C |
Product Overview
(E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 716331-91-8), with molecular formula C20H18ClN7O2 and molecular weight 423.12 g/mol. IUPAC: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione.
Chemical Property Profile of (E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.9764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione has 1 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)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 716331-91-8.
What is the molecular formula of (E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is C20H18ClN7O2.
What is the molecular weight of (E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 423.12 g/mol.
Where can I buy (E)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-1-(2-chlorobenzyl)-3,7-dimethyl-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)-1-(2-chlorobenzyl)-3,7-dimethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(2-chlorobenzyl)-3,7-dimethyl-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.