![8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione structure](/static/products/862/862979-95-1.png)
8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
TL;DR: 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione (CAS 862979-95-1) is a chemical compound with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Also Known As: 8-[(dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione, 8-[(dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(dibenzylamino)methyl]-3-methyl-7-(1-methyl-2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione, 8-{[bisbenzylamino]methyl}-3-methyl-7-(1-methyl-2-oxopropyl)-1,3,7-trihydropur ine-2,6-dione
| Molecular Formula | C25H27N5O3 |
|---|---|
| Molecular Weight | 445.21 g/mol |
| LogP | 2.7757 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.2114 |
| Heavy Atoms | 33 |
| Complexity | 1345.3325 |
Chemical Identifiers
| CAS Number | 862979-95-1 |
|---|---|
| SMILES | CC(C(=O)C)N1C(=NC2=C1C(=O)NC(=O)N2C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione (CAS 862979-95-1), with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol. IUPAC: 8-[(dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione.
Chemical Property Profile of 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Property Insights of 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
The XLogP value of 2.7757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione has 1 hydrogen bond donor(s) and 5 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-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The CAS number of 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is 862979-95-1.
What is the molecular formula of 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The molecular formula of 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is C25H27N5O3.
What is the molecular weight of 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The molecular weight of 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is 445.21 g/mol.
Where can I buy 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
You can request a quote for 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)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-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(Dibenzylamino)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.