![8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/851/851940-08-4.png)
8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 851940-08-4) is a chemical compound with molecular formula C26H29ClN6O2 and molecular weight 492.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(3-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(3-chlorophenyl)methyl]-1,3-dimethyl-8-{[4-benzylpiperazinyl]methyl}-1,3,7- trihydropurine-2,6-dione, 8-((4-benzylpiperazin-1-yl)methyl)-7-(3-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[(4-BENZYLPIPERAZIN-1-YL)METHYL]-7-[(3-CHLOROPHENYL)METHYL]-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE, 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(3-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C26H29ClN6O2 |
|---|---|
| Molecular Weight | 492.20 g/mol |
| LogP | 2.4532 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.20404 |
| Heavy Atoms | 35 |
| Complexity | 1465.2164 |
Chemical Identifiers
| CAS Number | 851940-08-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CC5=CC(=CC=C5)Cl |
Product Overview
8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 851940-08-4), with molecular formula C26H29ClN6O2 and molecular weight 492.20 g/mol. IUPAC: 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(3-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.4532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 0 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 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 851940-08-4.
What is the molecular formula of 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C26H29ClN6O2.
What is the molecular weight of 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 492.20 g/mol.
Where can I buy 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-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 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.