![7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/3724/372496-18-9.webp)
7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione (CAS 372496-18-9) is a chemical compound with molecular formula C22H20ClN7O4 and molecular weight 481.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione
Also Known As: 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione, (Z)-7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-(1-(3-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H20ClN7O4 |
|---|---|
| Molecular Weight | 481.13 g/mol |
| LogP | 2.8797 |
| Topological Polar Surface Area | 129.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.12653 |
| Heavy Atoms | 34 |
| Complexity | 1582.654 |
Chemical Identifiers
| CAS Number | 372496-18-9 |
|---|---|
| SMILES | C/C(=N/NC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C)/C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione (CAS 372496-18-9), with molecular formula C22H20ClN7O4 and molecular weight 481.13 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.8797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 129.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 7 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 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione is 372496-18-9.
What is the molecular formula of 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione is C22H20ClN7O4.
What is the molecular weight of 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione is 481.13 g/mol.
Where can I buy 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.