3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione
TL;DR: 3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione (CAS 672944-74-0) is a chemical compound with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione
Also Known As: BAS 07401849, UPCMLD0ENAT5731304:001, 3-methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione, 3-methyl-7-(2-methylallyl)-8-(phenylthio)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(2-methylprop-2-enyl)-8-phenylthio-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C16H16N4O2S |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 2.1506 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0994 |
| Heavy Atoms | 23 |
| Complexity | 998.5775 |
Chemical Identifiers
| CAS Number | 672944-74-0 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1SC3=CC=CC=C3)N(C(=O)NC2=O)C |
Product Overview
3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione (CAS 672944-74-0), with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol. IUPAC: 3-methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione.
Chemical Property Profile of 3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione
Property Insights of 3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione
The XLogP value of 2.1506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione has 1 hydrogen bond donor(s) and 4 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-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione?
The CAS number of 3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione is 672944-74-0.
What is the molecular formula of 3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione?
The molecular formula of 3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione is C16H16N4O2S.
What is the molecular weight of 3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione?
The molecular weight of 3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione is 328.10 g/mol.
Where can I buy 3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione?
You can request a quote for 3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-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-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.