8-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
TL;DR: 8-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 71259-47-7) 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.
8-benzyl-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 8-benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione, 8-benzyl-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione, AE-641/10450037, 1H-Purine-2,6-dione,3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-8-(phenylmethyl)-
| Molecular Formula | C16H18N4O3 |
|---|---|
| Molecular Weight | 314.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.13788 |
| Heavy Atoms | 23 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 71259-47-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCO |
| InChIKey | IFGDSEHAXAFWOH-UHFFFAOYSA-N |
Product Overview
8-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 71259-47-7), with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol. IUPAC: 8-benzyl-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
Property Insights of 8-Benzyl-7-(2-hydroxyethyl)-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 8-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione. Following Lipinski's Rule of Five, 8-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-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 8-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The CAS number of 8-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 71259-47-7.
What is the molecular formula of 8-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular formula of 8-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is C16H18N4O3.
What is the molecular weight of 8-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular weight of 8-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 314.14 g/mol.
Where can I buy 8-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
You can request a quote for 8-Benzyl-7-(2-hydroxyethyl)-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-Benzyl-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Benzyl-7-(2-hydroxyethyl)-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.