1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one
TL;DR: 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one (CAS 4473-26-1) is a chemical compound with molecular formula C19H16N4O and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,9-dibenzylpurin-6-one
Also Known As: 1,9-dibenzylpurin-6-one, 1,9-dibenzyl-1,9-dihydro-6h-purin-6-one, 1,9-dibenzylhypoxanthine, KST-1B5223, 1,9-dibenzyl-1,9-dihydro-purin-6-one
| Molecular Formula | C19H16N4O |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.13242 |
| Heavy Atoms | 24 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 4473-26-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C2N=CN(C3=O)CC4=CC=CC=C4 |
| InChIKey | HEPGQOLUAHZZSN-UHFFFAOYSA-N |
Product Overview
1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one (CAS 4473-26-1), with molecular formula C19H16N4O and molecular weight 316.13 g/mol. IUPAC: 1,9-dibenzylpurin-6-one.
Chemical Property Profile of 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one
Property Insights of 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one. With a topological polar surface area (TPSA) of 50.5 Ų, 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one has 0 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 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one?
The CAS number of 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one is 4473-26-1.
What is the molecular formula of 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one?
The molecular formula of 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one is C19H16N4O.
What is the molecular weight of 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one?
The molecular weight of 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one is 316.13 g/mol.
Where can I buy 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one?
You can request a quote for 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1,9-Dibenzyl-1,9-dihydro-6h-purin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.