![7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/586/586993-55-7.png)
7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 586993-55-7) is a chemical compound with molecular formula C29H28ClN5O2 and molecular weight 513.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-[(dibenzylamino)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(2-chlorobenzyl)-8-((dibenzylamino)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(2-chlorophenyl)methyl]-8-[(dibenzylamino)methyl]-1,3-dimethyl-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-[(dibenzylamino)methyl]-1,3-dimethylpurine-2,6-dione, 7-[(2-CHLOROPHENYL)METHYL]-8-[(DIBENZYLAMINO)METHYL]-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C29H28ClN5O2 |
|---|---|
| Molecular Weight | 513.19 g/mol |
| LogP | 4.3378 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.1932 |
| Heavy Atoms | 37 |
| Complexity | 1614.1067 |
Chemical Identifiers
| CAS Number | 586993-55-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5Cl |
Product Overview
7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 586993-55-7), with molecular formula C29H28ClN5O2 and molecular weight 513.19 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-[(dibenzylamino)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 4.3378 indicates that 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 586993-55-7.
What is the molecular formula of 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C29H28ClN5O2.
What is the molecular weight of 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 513.19 g/mol.
Where can I buy 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-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 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-chlorobenzyl)-8-[(dibenzylamino)methyl]-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.