8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione
TL;DR: 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione (CAS 331841-60-2) is a chemical compound with molecular formula C13H20N4O3S and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5834923:001, 8-(2-hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione, AB00988450-01, 8-(2-hydroxyethylthio)-3-methyl-7-pentyl-1,3,7-trihydropurine-2,6-dione, 8-[(2-hydroxyethyl)sulfanyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C13H20N4O3S |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | 0.6979 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.1256 |
| Heavy Atoms | 21 |
| Complexity | 731.3172 |
Chemical Identifiers
| CAS Number | 331841-60-2 |
|---|---|
| SMILES | CCCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C |
Product Overview
8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione (CAS 331841-60-2), with molecular formula C13H20N4O3S and molecular weight 312.13 g/mol. IUPAC: 8-(2-hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione.
Chemical Property Profile of 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione
Property Insights of 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione
The XLogP value of 0.6979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione has 2 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 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione?
The CAS number of 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione is 331841-60-2.
What is the molecular formula of 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione?
The molecular formula of 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione is C13H20N4O3S.
What is the molecular weight of 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione?
The molecular weight of 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione is 312.13 g/mol.
Where can I buy 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione?
You can request a quote for 8-(2-Hydroxyethylsulfanyl)-3-methyl-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 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-Hydroxyethylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.