3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione (CAS 366444-83-9) is a chemical compound with molecular formula C21H23N5O3 and molecular weight 393.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(6-methoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
Also Known As: 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione, 3-isobutyl-8-(6-methoxy-isoquinolin-4-ylmethyl)-1-methyl-3,7-dihydro-purine-2,6-dione, 8-[(6-methoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
| Molecular Formula | C21H23N5O3 |
|---|---|
| Molecular Weight | 393.18 g/mol |
| LogP | 2.2269 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.18008 |
| Heavy Atoms | 29 |
| Complexity | 1330.1407 |
Chemical Identifiers
| CAS Number | 366444-83-9 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC3=C4C=C(C=CC4=CN=C3)OC |
Product Overview
3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione (CAS 366444-83-9), with molecular formula C21H23N5O3 and molecular weight 393.18 g/mol. IUPAC: 8-[(6-methoxyisoquinolin-4-yl)methyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione.
Chemical Property Profile of 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.2269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione has 1 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 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione is 366444-83-9.
What is the molecular formula of 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione is C21H23N5O3.
What is the molecular weight of 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione is 393.18 g/mol.
Where can I buy 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.