O,O-Diethyl S-pentyl phosphorothioate
TL;DR: O,O-Diethyl S-pentyl phosphorothioate (CAS 995-51-7) is a chemical compound with molecular formula C9H21O3PS and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphorylsulfanylpentane
Also Known As: O,O-Diethyl S-pentyl phosphorothioate, Ethyl pentyl phosphorothioate, 1-diethoxyphosphorylsulfanylpentane, Ethyl pentyl phosphorothioate (7CI), Phosphorothioic acid, O,O-diethyl S-pentyl ester
| Molecular Formula | C9H21O3PS |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 240.09491 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 995-51-7 |
|---|---|
| SMILES | CCCCCSP(=O)(OCC)OCC |
| InChIKey | SJPVBQHKOVHWDR-UHFFFAOYSA-N |
Product Overview
O,O-Diethyl S-pentyl phosphorothioate (CAS 995-51-7), with molecular formula C9H21O3PS and molecular weight 240.09 g/mol. IUPAC: 1-diethoxyphosphorylsulfanylpentane.
Chemical Property Profile of O,O-Diethyl S-pentyl phosphorothioate
Property Insights of O,O-Diethyl S-pentyl phosphorothioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O-Diethyl S-pentyl phosphorothioate. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-Diethyl S-pentyl phosphorothioate. Following Lipinski's Rule of Five, O,O-Diethyl S-pentyl 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 O,O-Diethyl S-pentyl phosphorothioate?
The CAS number of O,O-Diethyl S-pentyl phosphorothioate is 995-51-7.
What is the molecular formula of O,O-Diethyl S-pentyl phosphorothioate?
The molecular formula of O,O-Diethyl S-pentyl phosphorothioate is C9H21O3PS.
What is the molecular weight of O,O-Diethyl S-pentyl phosphorothioate?
The molecular weight of O,O-Diethyl S-pentyl phosphorothioate is 240.09 g/mol.
Where can I buy O,O-Diethyl S-pentyl phosphorothioate?
You can request a quote for O,O-Diethyl S-pentyl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-Diethyl S-pentyl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Diethyl S-pentyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.