7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione
TL;DR: 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione (CAS 330179-39-0) is a chemical compound with molecular formula C14H22N4O3S and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hexyl-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00844518, 7-hexyl-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione, 7-hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione, 7-hexyl-8-[(2-hydroxyethyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-hexyl-8-((2-hydroxyethyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C14H22N4O3S |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 1.088 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.14127 |
| Heavy Atoms | 22 |
| Complexity | 746.8515 |
Chemical Identifiers
| CAS Number | 330179-39-0 |
|---|---|
| SMILES | CCCCCCN1C2=C(N=C1SCCO)N(C(=O)NC2=O)C |
Product Overview
7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione (CAS 330179-39-0), with molecular formula C14H22N4O3S and molecular weight 326.14 g/mol. IUPAC: 7-hexyl-8-(2-hydroxyethylsulfanyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione
Property Insights of 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione
The XLogP value of 1.088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-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 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione?
The CAS number of 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione is 330179-39-0.
What is the molecular formula of 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione is C14H22N4O3S.
What is the molecular weight of 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione is 326.14 g/mol.
Where can I buy 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-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 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Hexyl-8-(2-hydroxyethylthio)-3-methyl-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.