8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
TL;DR: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione (CAS 714933-53-6) is a chemical compound with molecular formula C19H26N8O2S and molecular weight 430.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
Also Known As: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione, 8-(4-ethylpiperazino)-3-methyl-7-[3-(2-pyrimidylthio)propyl]xanthine, 8-(4-ethyl-1-piperazinyl)-3-methyl-7-[3-(2-pyrimidinylthio)propyl]purine-2,6-dione, 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione, 8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C19H26N8O2S |
|---|---|
| Molecular Weight | 430.19 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.18994 |
| Heavy Atoms | 30 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 714933-53-6 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(N2CCCSC4=NC=CC=N4)C(=O)NC(=O)N3C |
| InChIKey | GXGXNDWVJSEHQZ-UHFFFAOYSA-N |
Product Overview
8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione (CAS 714933-53-6), with molecular formula C19H26N8O2S and molecular weight 430.19 g/mol. IUPAC: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione.
Chemical Property Profile of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
Property Insights of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione has 1 hydrogen bond donor(s) and 8 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-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione?
The CAS number of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione is 714933-53-6.
What is the molecular formula of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione?
The molecular formula of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione is C19H26N8O2S.
What is the molecular weight of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione?
The molecular weight of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione is 430.19 g/mol.
Where can I buy 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione?
You can request a quote for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)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-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.