![7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/851/851939-00-9.png)
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851939-00-9) is a chemical compound with molecular formula C24H24ClN5O2 and molecular weight 449.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(2-chlorobenzyl)-8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethylpurine-2,6-dione, 7-(2-chlorobenzyl)-8-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinolylmeth yl)-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C24H24ClN5O2 |
|---|---|
| Molecular Weight | 449.16 g/mol |
| LogP | 2.6937 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.16187 |
| Heavy Atoms | 32 |
| Complexity | 1449.2849 |
Chemical Identifiers
| CAS Number | 851939-00-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC4=CC=CC=C4C3)CC5=CC=CC=C5Cl |
Product Overview
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851939-00-9), with molecular formula C24H24ClN5O2 and molecular weight 449.16 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 2.6937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 4 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-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 851939-00-9.
What is the molecular formula of 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C24H24ClN5O2.
What is the molecular weight of 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 449.16 g/mol.
Where can I buy 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-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-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.