1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 847846-34-8) is a chemical compound with molecular formula C15H16N4O3 and molecular weight 300.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
Also Known As: 1-benzyl-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione, 1-benzyl-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione, 1-benzyl-7-(2-hydroxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C15H16N4O3 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | -0.0627 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.12225 |
| Heavy Atoms | 22 |
| Complexity | 921.59595 |
Chemical Identifiers
| CAS Number | 847846-34-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C=N2)CCO |
Product Overview
1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 847846-34-8), with molecular formula C15H16N4O3 and molecular weight 300.12 g/mol. IUPAC: 1-benzyl-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of -0.0627 indicates that 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 1 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 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 847846-34-8.
What is the molecular formula of 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C15H16N4O3.
What is the molecular weight of 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 300.12 g/mol.
Where can I buy 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-benzyl-7-(2-hydroxyethyl)-3-methyl-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 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.