(E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 713095-41-1) is a chemical compound with molecular formula C21H25ClN6O2 and molecular weight 428.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2E)-2-(3-methylcyclohexylidene)hydrazinyl]purine-2,6-dione
Also Known As: (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, (8E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2E)-(3-methylcyclohexylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2E)-2-(3-methylcyclohexylidene)hydrazinyl]purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[2-(3-methylcyclohexylidene)hydrazinyl]purine-2,6-dione
| Molecular Formula | C21H25ClN6O2 |
|---|---|
| Molecular Weight | 428.17 g/mol |
| LogP | 3.1134 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.17276 |
| Heavy Atoms | 30 |
| Complexity | 1235.5907 |
Chemical Identifiers
| CAS Number | 713095-41-1 |
|---|---|
| SMILES | CC1CCC/C(=N\NC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C)/C1 |
Product Overview
(E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione (CAS 713095-41-1), with molecular formula C21H25ClN6O2 and molecular weight 428.17 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[(2E)-2-(3-methylcyclohexylidene)hydrazinyl]purine-2,6-dione.
Chemical Property Profile of (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.1134 indicates that (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-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)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 713095-41-1.
What is the molecular formula of (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is C21H25ClN6O2.
What is the molecular weight of (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione is 428.17 g/mol.
Where can I buy (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)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-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-(4-chlorobenzyl)-1,3-dimethyl-8-(2-(3-methylcyclohexylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.