Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate
TL;DR: Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate (CAS 646509-70-8) is a chemical compound with molecular formula C21H34N4O2S and molecular weight 406.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate
Also Known As: ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate, 9-Purine acetic acid,6-dodecylthioethylester, 9-Purine acetic acid, 6-dodecylthioethylester, Ethyl 2-(6-(dodecylthio)-9H-purin-9-yl)acetate, Ethyl [6-(dodecylsulfanyl)-9H-purin-9-yl]acetate
| Molecular Formula | C21H34N4O2S |
|---|---|
| Molecular Weight | 406.24 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 406.24023 |
| Heavy Atoms | 28 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 646509-70-8 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OCC |
| InChIKey | FKSJHUBCQPBCIS-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate (CAS 646509-70-8), with molecular formula C21H34N4O2S and molecular weight 406.24 g/mol. IUPAC: ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate.
Chemical Property Profile of Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate
Property Insights of Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate
The XLogP value of 6.9 indicates that Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate?
The CAS number of Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate is 646509-70-8.
What is the molecular formula of Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate?
The molecular formula of Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate is C21H34N4O2S.
What is the molecular weight of Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate?
The molecular weight of Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate is 406.24 g/mol.
Where can I buy Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate?
You can request a quote for Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(6-dodecylsulfanylpurin-9-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.