3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 332103-66-9) is a chemical compound with molecular formula C18H21N7O4 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(4-methylpiperazin-1-yl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione
Also Known As: BAS 01122552, 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-8-(4-methylpiperazin-1-yl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione, F0403-0033, 3-Methyl-8-(4-methyl-piperazin-1-yl)-7-(4-nitro-benzyl)-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C18H21N7O4 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 0.1316 |
| Topological Polar Surface Area | 122.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.1655 |
| Heavy Atoms | 29 |
| Complexity | 1183.8705 |
Chemical Identifiers
| CAS Number | 332103-66-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)NC(=O)N3C |
Product Overview
3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 332103-66-9), with molecular formula C18H21N7O4 and molecular weight 399.17 g/mol. IUPAC: 3-methyl-8-(4-methylpiperazin-1-yl)-7-[(4-nitrophenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.1316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 122.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 7 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 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione is 332103-66-9.
What is the molecular formula of 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione is C18H21N7O4.
What is the molecular weight of 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione is 399.17 g/mol.
Where can I buy 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-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 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-8-(4-methylpiperazin-1-yl)-7-(4-nitrobenzyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.