1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 184897-90-3) is a chemical compound with molecular formula C19H16N4O2 and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(2-methylphenyl)-7H-purine-2,6-dione
Also Known As: Compound K5, 1-benzyl-3-(2-methylphenyl)-7H-purine-2,6-dione, 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H16N4O2 |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 2.23222 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.12732 |
| Heavy Atoms | 25 |
| Complexity | 1169.4714 |
Chemical Identifiers
| CAS Number | 184897-90-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 |
Product Overview
1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 184897-90-3), with molecular formula C19H16N4O2 and molecular weight 332.13 g/mol. IUPAC: 1-benzyl-3-(2-methylphenyl)-7H-purine-2,6-dione.
Chemical Property Profile of 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.23222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 3 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-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione is 184897-90-3.
What is the molecular formula of 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione is C19H16N4O2.
What is the molecular weight of 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione is 332.13 g/mol.
Where can I buy 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1-benzyl-3-(2-methylphenyl)-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-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.