O,O-diethyl piperidin-1-ylphosphonothioate
TL;DR: O,O-diethyl piperidin-1-ylphosphonothioate (CAS 90796-18-2) is a chemical compound with molecular formula C9H20NO2PS and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-piperidin-1-yl-sulfanylidene-λ5-phosphane
Also Known As: diethoxy-piperidin-1-yl-sulfanylidene-, O,O-diethyl piperidin-1-ylphosphonothioate, Diethoxy-(1-piperidyl)-sulfanylidene-phosphorane
| Molecular Formula | C9H20NO2PS |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 2.7698 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.09523 |
| Heavy Atoms | 14 |
| Complexity | 196.98863 |
Chemical Identifiers
| CAS Number | 90796-18-2 |
|---|---|
| SMILES | CCOP(=S)(N1CCCCC1)OCC |
Product Overview
O,O-diethyl piperidin-1-ylphosphonothioate (CAS 90796-18-2), with molecular formula C9H20NO2PS and molecular weight 237.10 g/mol. IUPAC: diethoxy-piperidin-1-yl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-diethyl piperidin-1-ylphosphonothioate
Property Insights of O,O-diethyl piperidin-1-ylphosphonothioate
The XLogP value of 2.7698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O-diethyl piperidin-1-ylphosphonothioate. With a topological polar surface area (TPSA) of 21.7 Ų, O,O-diethyl piperidin-1-ylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O-diethyl piperidin-1-ylphosphonothioate has 0 hydrogen bond donor(s) and 3 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 piperidin-1-ylphosphonothioate?
The CAS number of O,O-diethyl piperidin-1-ylphosphonothioate is 90796-18-2.
What is the molecular formula of O,O-diethyl piperidin-1-ylphosphonothioate?
The molecular formula of O,O-diethyl piperidin-1-ylphosphonothioate is C9H20NO2PS.
What is the molecular weight of O,O-diethyl piperidin-1-ylphosphonothioate?
The molecular weight of O,O-diethyl piperidin-1-ylphosphonothioate is 237.10 g/mol.
Where can I buy O,O-diethyl piperidin-1-ylphosphonothioate?
You can request a quote for O,O-diethyl piperidin-1-ylphosphonothioate 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 piperidin-1-ylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-diethyl piperidin-1-ylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.