3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione
TL;DR: 3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione (CAS 328068-83-3) is a chemical compound with molecular formula C19H24N4O2S and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-pentyl-8-(2-phenylethylsulfanyl)purine-2,6-dione
Also Known As: ML146 Analog, BAS 00620115, 3-methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione, 7-amyl-3-methyl-8-(phenethylthio)xanthine, 3-methyl-7-pentyl-8-(2-phenylethylsulfanyl)purine-2,6-dione
| Molecular Formula | C19H24N4O2S |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.162 |
| Heavy Atoms | 26 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 328068-83-3 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C |
| InChIKey | ZNKHQWGJWCXYRV-UHFFFAOYSA-N |
Product Overview
3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione (CAS 328068-83-3), with molecular formula C19H24N4O2S and molecular weight 372.16 g/mol. IUPAC: 3-methyl-7-pentyl-8-(2-phenylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione
Property Insights of 3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione
The XLogP value of 3.9 indicates that 3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-7-pentyl-8-(2-phenylethylthio)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-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione?
The CAS number of 3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione is 328068-83-3.
What is the molecular formula of 3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione?
The molecular formula of 3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione is C19H24N4O2S.
What is the molecular weight of 3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione?
The molecular weight of 3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione is 372.16 g/mol.
Where can I buy 3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione?
You can request a quote for 3-Methyl-7-pentyl-8-(2-phenylethylthio)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-pentyl-8-(2-phenylethylthio)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7-pentyl-8-(2-phenylethylthio)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.