3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione
TL;DR: 3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione (CAS 673452-62-5) is a chemical compound with molecular formula C18H16N6O2S and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylsulfanylpurine-2,6-dione
Also Known As: BAS 07401834, AB01256989-02, 3-methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione, 3-methyl-7-phenethyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione, 3-methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylsulfanylpurine-2,6-dione
| Molecular Formula | C18H16N6O2S |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 1.6072 |
| Topological Polar Surface Area | 98.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.10553 |
| Heavy Atoms | 27 |
| Complexity | 1197.7295 |
Chemical Identifiers
| CAS Number | 673452-62-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC=CC=N3)CCC4=CC=CC=C4 |
Product Overview
3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione (CAS 673452-62-5), with molecular formula C18H16N6O2S and molecular weight 380.11 g/mol. IUPAC: 3-methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylsulfanylpurine-2,6-dione.
Chemical Property Profile of 3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione
Property Insights of 3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione
The XLogP value of 1.6072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione. The TPSA of 98.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione has 1 hydrogen bond donor(s) and 6 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-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione?
The CAS number of 3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione is 673452-62-5.
What is the molecular formula of 3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione is C18H16N6O2S.
What is the molecular weight of 3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione is 380.11 g/mol.
Where can I buy 3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-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-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7-(2-phenylethyl)-8-pyrimidin-2-ylthio-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.