7-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione
TL;DR: 7-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione (CAS 329702-64-9) is a chemical compound with molecular formula C20H34N4O2S and molecular weight 394.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione
Also Known As: 7-dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione, BAS 00733990, 7-dodecyl-8-(ethylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-dodecyl-8-(ethylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-Dodecyl-8-ethylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C20H34N4O2S |
|---|---|
| Molecular Weight | 394.24 g/mol |
| LogP | 4.4562 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 394.24023 |
| Heavy Atoms | 27 |
| Complexity | 821.7216 |
Chemical Identifiers
| CAS Number | 329702-64-9 |
|---|---|
| SMILES | CCCCCCCCCCCCN1C2=C(N=C1SCC)N(C(=O)NC2=O)C |
Product Overview
7-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione (CAS 329702-64-9), with molecular formula C20H34N4O2S and molecular weight 394.24 g/mol. IUPAC: 7-dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione
Property Insights of 7-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione
The XLogP value of 4.4562 indicates that 7-Dodecyl-8-ethylsulfanyl-3-methylpurine-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-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-Dodecyl-8-ethylsulfanyl-3-methylpurine-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-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione?
The CAS number of 7-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione is 329702-64-9.
What is the molecular formula of 7-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione?
The molecular formula of 7-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione is C20H34N4O2S.
What is the molecular weight of 7-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione?
The molecular weight of 7-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione is 394.24 g/mol.
Where can I buy 7-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione?
You can request a quote for 7-Dodecyl-8-ethylsulfanyl-3-methylpurine-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-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Dodecyl-8-ethylsulfanyl-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.