![8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione structure](/static/products/862/862979-96-2.png)
8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
TL;DR: 8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione (CAS 862979-96-2) is a chemical compound with molecular formula C22H28N6O3 and molecular weight 424.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5825110:001, 8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione, 8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-methyl-7-(1-methyl-2-oxopropyl)-8-{[4-benzylpiperazinyl]methyl}-1,3,7-trihyd ropurine-2,6-dione, 8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(1-methyl-2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H28N6O3 |
|---|---|
| Molecular Weight | 424.22 g/mol |
| LogP | 0.8911 |
| Topological Polar Surface Area | 96.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.2223 |
| Heavy Atoms | 31 |
| Complexity | 1201.6947 |
Chemical Identifiers
| CAS Number | 862979-96-2 |
|---|---|
| SMILES | CC(C(=O)C)N1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione (CAS 862979-96-2), with molecular formula C22H28N6O3 and molecular weight 424.22 g/mol. IUPAC: 8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione.
Chemical Property Profile of 8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
Property Insights of 8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione
The XLogP value of 0.8911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione. The TPSA of 96.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione has 1 hydrogen bond donor(s) and 6 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-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The CAS number of 8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is 862979-96-2.
What is the molecular formula of 8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The molecular formula of 8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is C22H28N6O3.
What is the molecular weight of 8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
The molecular weight of 8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione is 424.22 g/mol.
Where can I buy 8-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
You can request a quote for 8-[(4-Benzylpiperazin-1-yl)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-[(4-Benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(4-Benzylpiperazin-1-yl)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.