8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 895831-40-0) is a chemical compound with molecular formula C21H28N6O2 and molecular weight 396.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzylpiperazin-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5830706:001, 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(4-benzylpiperazin-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione, F2636-0104, 3-methyl-7-(2-methylpropyl)-8-[4-benzylpiperazinyl]-1,3,7-trihydropurine-2,6-d ione
| Molecular Formula | C21H28N6O2 |
|---|---|
| Molecular Weight | 396.23 g/mol |
| LogP | 1.4015 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.2274 |
| Heavy Atoms | 29 |
| Complexity | 1103.8871 |
Chemical Identifiers
| CAS Number | 895831-40-0 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C |
Product Overview
8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 895831-40-0), with molecular formula C21H28N6O2 and molecular weight 396.23 g/mol. IUPAC: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.4015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-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-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 895831-40-0.
What is the molecular formula of 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione is C21H28N6O2.
What is the molecular weight of 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione is 396.23 g/mol.
Where can I buy 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-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)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-benzylpiperazin-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.