![3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/6743/674353-90-3.webp)
3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 674353-90-3) is a chemical compound with molecular formula C23H26N8O2S and molecular weight 478.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(4-phenylpiperazin-1-yl)-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
Also Known As: 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3-methyl-8-(4-phenylpiperazin-1-yl)-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
| Molecular Formula | C23H26N8O2S |
|---|---|
| Molecular Weight | 478.19 g/mol |
| LogP | 1.7223 |
| Topological Polar Surface Area | 104.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.18994 |
| Heavy Atoms | 34 |
| Complexity | 1375.3651 |
Chemical Identifiers
| CAS Number | 674353-90-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCCSC5=NC=CC=N5 |
Product Overview
3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 674353-90-3), with molecular formula C23H26N8O2S and molecular weight 478.19 g/mol. IUPAC: 3-methyl-8-(4-phenylpiperazin-1-yl)-7-(3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione.
Chemical Property Profile of 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 1.7223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 104.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-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 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 674353-90-3.
What is the molecular formula of 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C23H26N8O2S.
What is the molecular weight of 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 478.19 g/mol.
Where can I buy 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-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 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-8-(4-phenylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.