3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione
TL;DR: 3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione (CAS 491615-02-2) is a chemical compound with molecular formula C14H18N4O3S and molecular weight 322.11 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-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5730906:001, 3-methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione, 3-methyl-8-[(1-methyl-2-oxopropyl)thio]-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-8-(1-methyl-2-oxopropylthio)-7-(2-methylprop-2-enyl)-1,3,7-trihydropu rine-2,6-dione, 3-methyl-8-[(1-methyl-2-oxopropyl)sulfanyl]-7-(2-methylprop-2-enyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C14H18N4O3S |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 1.069 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.10995 |
| Heavy Atoms | 22 |
| Complexity | 874.5659 |
Chemical Identifiers
| CAS Number | 491615-02-2 |
|---|---|
| SMILES | CC(C(=O)C)SC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C |
Product Overview
3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione (CAS 491615-02-2), with molecular formula C14H18N4O3S and molecular weight 322.11 g/mol. IUPAC: 3-methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione
Property Insights of 3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione
The XLogP value of 1.069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione has 1 hydrogen bond donor(s) and 5 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-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione?
The CAS number of 3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione is 491615-02-2.
What is the molecular formula of 3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione?
The molecular formula of 3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione is C14H18N4O3S.
What is the molecular weight of 3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione?
The molecular weight of 3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione is 322.11 g/mol.
Where can I buy 3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione?
You can request a quote for 3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)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-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.