![7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/846/846599-22-2.png)
7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 846599-22-2) is a chemical compound with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[2-(methoxymethyl)phenyl]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-[[2-(methoxymethyl)phenyl]methyl]-1,3-dimethylpurine-2,6-dione, 7-(2-(methoxymethyl)benzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H18N4O3 |
|---|---|
| Molecular Weight | 314.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.13788 |
| Heavy Atoms | 23 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 846599-22-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3COC |
| InChIKey | CHFVXNNLTWYPPG-UHFFFAOYSA-N |
Product Overview
7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 846599-22-2), with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol. IUPAC: 7-[[2-(methoxymethyl)phenyl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-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 7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 846599-22-2.
What is the molecular formula of 7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C16H18N4O3.
What is the molecular weight of 7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 314.14 g/mol.
Where can I buy 7-[2-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-[2-(methoxymethyl)benzyl]-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-(methoxymethyl)benzyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[2-(methoxymethyl)benzyl]-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.