3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione
TL;DR: 3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione (CAS 328068-58-2) is a chemical compound with molecular formula C14H20N4O3S and molecular weight 324.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione
Also Known As: BAS 00620117, 3-methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione, 3-methyl-8-(2-oxopropylthio)-7-pentyl-1,3,7-trihydropurine-2,6-dione, 3-methyl-8-((2-oxopropyl)thio)-7-pentyl-1H-purine-2,6(3H,7H)-dione, 3-Methyl-8-((2-oxopropyl)thio)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C14H20N4O3S |
|---|---|
| Molecular Weight | 324.13 g/mol |
| LogP | 1.2946 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.1256 |
| Heavy Atoms | 22 |
| Complexity | 802.74646 |
Chemical Identifiers
| CAS Number | 328068-58-2 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C |
Product Overview
3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione (CAS 328068-58-2), with molecular formula C14H20N4O3S and molecular weight 324.13 g/mol. IUPAC: 3-methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione.
Chemical Property Profile of 3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione
Property Insights of 3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione
The XLogP value of 1.2946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione. Following Lipinski's Rule of Five, 3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-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-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione?
The CAS number of 3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione is 328068-58-2.
What is the molecular formula of 3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione?
The molecular formula of 3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione is C14H20N4O3S.
What is the molecular weight of 3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione?
The molecular weight of 3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione is 324.13 g/mol.
Where can I buy 3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione?
You can request a quote for 3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-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-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-8-(2-oxopropylsulfanyl)-7-pentylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.