Ethyl nonyl phosphorothioate
TL;DR: Ethyl nonyl phosphorothioate (CAS 995-55-1) is a chemical compound with molecular formula C13H29O3PS and molecular weight 296.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphorylsulfanylnonane
Also Known As: Ethyl nonyl phosphorothioate, 1-diethoxyphosphorylsulfanylnonane, O,O-Diethyl S-nonyl phosphorothioate, O,O-Diethyl-S-(1-nonyl)-thiophosphat, Phosphorothioic acid, O,O-diethyl S-nonyl ester
| Molecular Formula | C13H29O3PS |
|---|---|
| Molecular Weight | 296.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 296.1575 |
| Heavy Atoms | 18 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 995-55-1 |
|---|---|
| SMILES | CCCCCCCCCSP(=O)(OCC)OCC |
| InChIKey | WFSDONNDPVGOGJ-UHFFFAOYSA-N |
Product Overview
Ethyl nonyl phosphorothioate (CAS 995-55-1), with molecular formula C13H29O3PS and molecular weight 296.16 g/mol. IUPAC: 1-diethoxyphosphorylsulfanylnonane.
Chemical Property Profile of Ethyl nonyl phosphorothioate
Property Insights of Ethyl nonyl phosphorothioate
The XLogP value of 4.6 indicates that Ethyl nonyl phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl nonyl phosphorothioate. Following Lipinski's Rule of Five, Ethyl nonyl phosphorothioate has 0 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 Ethyl nonyl phosphorothioate?
The CAS number of Ethyl nonyl phosphorothioate is 995-55-1.
What is the molecular formula of Ethyl nonyl phosphorothioate?
The molecular formula of Ethyl nonyl phosphorothioate is C13H29O3PS.
What is the molecular weight of Ethyl nonyl phosphorothioate?
The molecular weight of Ethyl nonyl phosphorothioate is 296.16 g/mol.
Where can I buy Ethyl nonyl phosphorothioate?
You can request a quote for Ethyl nonyl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl nonyl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl nonyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.