![1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione structure](/static/products/573/573693-49-9.png)
1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione
TL;DR: 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione (CAS 573693-49-9) is a chemical compound with molecular formula C20H22N6O5 and molecular weight 426.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-8-piperidin-1-ylpurine-2,6-dione
Also Known As: 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione, 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-8-piperidin-1-ylpurine-2,6-dione, 1,3-dimethyl-7-(2-(3-nitrophenyl)-2-oxoethyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H22N6O5 |
|---|---|
| Molecular Weight | 426.17 g/mol |
| LogP | 1.2151 |
| Topological Polar Surface Area | 125.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.16516 |
| Heavy Atoms | 31 |
| Complexity | 1312.0673 |
Chemical Identifiers
| CAS Number | 573693-49-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione (CAS 573693-49-9), with molecular formula C20H22N6O5 and molecular weight 426.17 g/mol. IUPAC: 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione
Property Insights of 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione
The XLogP value of 1.2151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione. The TPSA of 125.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)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-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione?
The CAS number of 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione is 573693-49-9.
What is the molecular formula of 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione?
The molecular formula of 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione is C20H22N6O5.
What is the molecular weight of 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione?
The molecular weight of 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione is 426.17 g/mol.
Where can I buy 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione?
You can request a quote for 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)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-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]-8-(1-piperidyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.