![7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione structure](/static/products/586/586987-63-5.png)
7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione
TL;DR: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione (CAS 586987-63-5) is a chemical compound with molecular formula C19H23Cl2N7O2 and molecular weight 451.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione
Also Known As: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione, 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-((4-methylpiperazin-1-yl)amino)-1H-purine-2,6(3H,7H)-dione, 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H23Cl2N7O2 |
|---|---|
| Molecular Weight | 451.13 g/mol |
| LogP | 1.3631 |
| Topological Polar Surface Area | 80.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.12903 |
| Heavy Atoms | 30 |
| Complexity | 1222.3167 |
Chemical Identifiers
| CAS Number | 586987-63-5 |
|---|---|
| SMILES | CN1CCN(CC1)NC2=NC3=C(N2CC4=CC(=C(C=C4)Cl)Cl)C(=O)N(C(=O)N3C)C |
Product Overview
7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione (CAS 586987-63-5), with molecular formula C19H23Cl2N7O2 and molecular weight 451.13 g/mol. IUPAC: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione.
Chemical Property Profile of 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione
Property Insights of 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione
The XLogP value of 1.3631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione. The TPSA of 80.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione. Following Lipinski's Rule of Five, 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-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 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione?
The CAS number of 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione is 586987-63-5.
What is the molecular formula of 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione?
The molecular formula of 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione is C19H23Cl2N7O2.
What is the molecular weight of 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione?
The molecular weight of 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione is 451.13 g/mol.
Where can I buy 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione?
You can request a quote for 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]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-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.