1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione
TL;DR: 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione (CAS 18592-33-1) 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.
1,3-dibenzyl-7H-purine-2,6-dione
Also Known As: 1,3-Dibenzyl-xanthin, 1,3-dibenzyl-7H-purine-2,6-dione, 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione, 1,3-dibenzyl-3,7-dihydro-1h-purine-2,6-dione, 2-Piperazinecarboxanilide, dihydrochloride
| Molecular Formula | C19H16N4O2 |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.12732 |
| Heavy Atoms | 25 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 18592-33-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3 |
| InChIKey | NHCLZKKZQJJXER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione (CAS 18592-33-1), with molecular formula C19H16N4O2 and molecular weight 332.13 g/mol. IUPAC: 1,3-dibenzyl-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione
Property Insights of 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 3.0 indicates that 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-Dibenzyl-3,7-dihydro-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 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione is 18592-33-1.
What is the molecular formula of 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione is C19H16N4O2.
What is the molecular weight of 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione is 332.13 g/mol.
Where can I buy 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 1,3-Dibenzyl-3,7-dihydro-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 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.