![1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione structure](/static/products/3306/330633-97-1.webp)
1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione
TL;DR: 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione (CAS 330633-97-1) 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.
1,3,7-trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione
Also Known As: 1,3,7-trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione, 1,3,7-trimethyl-8-(4-(4-nitrophenyl)piperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, 1,3,7-Trimethyl-8-[4-(4-nitro-phenyl)-piperazin-1-yl]-3,7-dihydro-purine-2,6-dione, 1,3,7-trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]-3,7-dihydro-1H-purine-2,6-dione, 1,3,7-trimethyl-8-[4-(4-nitrophenyl)piperazinyl]-1,3,7-trihydropurine-2,6-dion e
| Molecular Formula | C18H21N7O4 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 0.2055 |
| Topological Polar Surface Area | 111.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.1655 |
| Heavy Atoms | 29 |
| Complexity | 1214.211 |
Chemical Identifiers
| CAS Number | 330633-97-1 |
|---|---|
| SMILES | CN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])N(C(=O)N(C2=O)C)C |
Product Overview
1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione (CAS 330633-97-1), with molecular formula C18H21N7O4 and molecular weight 399.17 g/mol. IUPAC: 1,3,7-trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione.
Chemical Property Profile of 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione
Property Insights of 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione
The XLogP value of 0.2055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione. The TPSA of 111.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione. Following Lipinski's Rule of Five, 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione has 0 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 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione?
The CAS number of 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione is 330633-97-1.
What is the molecular formula of 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione?
The molecular formula of 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione is C18H21N7O4.
What is the molecular weight of 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione?
The molecular weight of 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione is 399.17 g/mol.
Where can I buy 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione?
You can request a quote for 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-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 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-Trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.