3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione
TL;DR: 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione (CAS 329695-76-3) is a chemical compound with molecular formula C11H16N4O2S and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-methylpropyl)-8-methylsulfanylpurine-2,6-dione
Also Known As: BAS 00390282, 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione, 3-methyl-7-(2-methylpropyl)-8-methylsulfanylpurine-2,6-dione, 7-Isobutyl-3-methyl-8-methylsulfanyl-3,7-dihydro-purine-2,6-dione, 7-isobutyl-3-methyl-8-(methylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C11H16N4O2S |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0994 |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 329695-76-3 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1SC)N(C(=O)NC2=O)C |
| InChIKey | AUWVLMIKNAROCO-UHFFFAOYSA-N |
Product Overview
3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione (CAS 329695-76-3), with molecular formula C11H16N4O2S and molecular weight 268.10 g/mol. IUPAC: 3-methyl-7-(2-methylpropyl)-8-methylsulfanylpurine-2,6-dione.
Chemical Property Profile of 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione
Property Insights of 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-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 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione?
The CAS number of 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione is 329695-76-3.
What is the molecular formula of 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione?
The molecular formula of 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione is C11H16N4O2S.
What is the molecular weight of 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione?
The molecular weight of 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione is 268.10 g/mol.
Where can I buy 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione?
You can request a quote for 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-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 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydro-3-methyl-7-(2-methylpropyl)-8-(methylthio)-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.