8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione (CAS 714234-35-2) is a chemical compound with molecular formula C23H26N8O3S and molecular weight 494.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione
Also Known As: 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione, AB00668516-01, F0570-0119, 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione, 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C23H26N8O3S |
|---|---|
| Molecular Weight | 494.18 g/mol |
| LogP | 1.3408 |
| Topological Polar Surface Area | 114.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.18484 |
| Heavy Atoms | 35 |
| Complexity | 1423.6715 |
Chemical Identifiers
| CAS Number | 714234-35-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCSC5=NC=CC=N5 |
Product Overview
8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione (CAS 714234-35-2), with molecular formula C23H26N8O3S and molecular weight 494.18 g/mol. IUPAC: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione.
Chemical Property Profile of 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.3408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 114.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 9 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-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione is 714234-35-2.
What is the molecular formula of 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione is C23H26N8O3S.
What is the molecular weight of 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione is 494.18 g/mol.
Where can I buy 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-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-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.