4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide
TL;DR: 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide (CAS 64036-99-3) is a chemical compound with molecular formula C9H22IO3PS2 and molecular weight 399.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylsulfanylethyl-ethyl-methylsulfanium iodide
Also Known As: Sulfonium, ethyl(2-(S-(O,O-diethylphosphorothio))ethyl)methyl-, iodide, Sulfonium, ethyl(2-mercaptoethyl)methyl-, iodide, S-ester with O,O-diethylphosphorothioate, 2-diethoxyphosphorylsulfanylethyl-ethyl-methylsulfanium iodide, 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide, Sulfonium, [2-[(diethoxyphosphinyl)thio]ethyl]ethylmethyl-, iodide
| Molecular Formula | C9H22IO3PS2 |
|---|---|
| Molecular Weight | 399.98 g/mol |
| LogP | 0.17 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 399.97928 |
| Heavy Atoms | 16 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 64036-99-3 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCC[S+](C)CC.[I-] |
| InChIKey | UEMKNTNFDQCBDH-UHFFFAOYSA-M |
Product Overview
4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide (CAS 64036-99-3), with molecular formula C9H22IO3PS2 and molecular weight 399.98 g/mol. IUPAC: 2-diethoxyphosphorylsulfanylethyl-ethyl-methylsulfanium iodide.
Chemical Property Profile of 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide
Property Insights of 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide
The XLogP value of 0.17 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide. Following Lipinski's Rule of Five, 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide has 0 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 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide?
The CAS number of 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide is 64036-99-3.
What is the molecular formula of 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide?
The molecular formula of 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide is C9H22IO3PS2.
What is the molecular weight of 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide?
The molecular weight of 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide is 399.98 g/mol.
Where can I buy 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide?
You can request a quote for 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-8-methyl-4-oxo-3-oxa-5-thia-8-thionia-4lambda~5~-phosphadecane iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.