8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 838898-40-1) is a chemical compound with molecular formula C20H25N5O3 and molecular weight 383.20 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)-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione, 7-(2-methoxyethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinolylmethyl)-1,3, 7-trihydropurine-2,6-dione, 7-(2-methoxyethyl)-1,3-dimethyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C20H25N5O3 |
|---|---|
| Molecular Weight | 383.20 g/mol |
| LogP | 0.6384 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.19574 |
| Heavy Atoms | 28 |
| Complexity | 1141.1743 |
Chemical Identifiers
| CAS Number | 838898-40-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC4=CC=CC=C4C3)CCOC |
Product Overview
8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 838898-40-1), with molecular formula C20H25N5O3 and molecular weight 383.20 g/mol. IUPAC: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.6384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-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-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 838898-40-1.
What is the molecular formula of 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C20H25N5O3.
What is the molecular weight of 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 383.20 g/mol.
Where can I buy 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-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-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-methoxyethyl)-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.