8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 851938-29-9) is a chemical compound with molecular formula C25H27N5O2 and molecular weight 429.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
Also Known As: 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione, 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-(2-1,2,3,4-tetrahydroisoquinolylmeth yl)-1,3,7-trihydropurine-2,6-dione, 8-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-1,3-dimethyl-7-(2-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C25H27N5O2 |
|---|---|
| Molecular Weight | 429.22 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.21646 |
| Heavy Atoms | 32 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 851938-29-9 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCC5=CC=CC=C5C4 |
| InChIKey | MIFFODLOBTVTMT-UHFFFAOYSA-N |
Product Overview
8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 851938-29-9), with molecular formula C25H27N5O2 and molecular weight 429.22 g/mol. IUPAC: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-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 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is 851938-29-9.
What is the molecular formula of 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is C25H27N5O2.
What is the molecular weight of 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione is 429.22 g/mol.
Where can I buy 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-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-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.