7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione
TL;DR: 7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione (CAS 303969-34-8) is a chemical compound with molecular formula C18H30N4O2S and molecular weight 366.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-decyl-8-ethylsulfanyl-3-methylpurine-2,6-dione
Also Known As: BAS 00844041, 7-decyl-8-ethylsulfanyl-3-methylpurine-2,6-dione, 7-decyl-8-(ethylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione, 7-Decyl-8-ethylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C18H30N4O2S |
|---|---|
| Molecular Weight | 366.21 g/mol |
| LogP | 3.676 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 366.20895 |
| Heavy Atoms | 25 |
| Complexity | 790.69556 |
Chemical Identifiers
| CAS Number | 303969-34-8 |
|---|---|
| SMILES | CCCCCCCCCCN1C2=C(N=C1SCC)N(C(=O)NC2=O)C |
Product Overview
7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione (CAS 303969-34-8), with molecular formula C18H30N4O2S and molecular weight 366.21 g/mol. IUPAC: 7-decyl-8-ethylsulfanyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione
Property Insights of 7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione
The XLogP value of 3.676 indicates that 7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-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 7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione?
The CAS number of 7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione is 303969-34-8.
What is the molecular formula of 7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione is C18H30N4O2S.
What is the molecular weight of 7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione is 366.21 g/mol.
Where can I buy 7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 7-Decyl-8-ethylthio-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-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Decyl-8-ethylthio-3-methyl-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.