O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate
TL;DR: O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate (CAS 162085-93-0) is a chemical compound with molecular formula C11H26NO2PS and molecular weight 267.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[ethyl(propan-2-yloxy)phosphoryl]sulfanylethanamine
Also Known As: J2.804.802E, O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate, S-[2-(Diethylamino)ethyl] o-isopropyl ethylphosphonothioate, O-(iso-Propyl) S-(2-diethylaminoethyl) ethylphosphonothiolate, S-[2-(Diethylamino)ethyl] O-(2-propanyl) ethylphosphonothioate
| Molecular Formula | C11H26NO2PS |
|---|---|
| Molecular Weight | 267.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 267.14218 |
| Heavy Atoms | 16 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 162085-93-0 |
|---|---|
| SMILES | CCN(CC)CCSP(=O)(CC)OC(C)C |
| InChIKey | WKTMORYXLDZRCF-UHFFFAOYSA-N |
Product Overview
O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate (CAS 162085-93-0), with molecular formula C11H26NO2PS and molecular weight 267.14 g/mol. IUPAC: N,N-diethyl-2-[ethyl(propan-2-yloxy)phosphoryl]sulfanylethanamine.
Chemical Property Profile of O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate
Property Insights of O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate. With a topological polar surface area (TPSA) of 54.8 Ų, O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate 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-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate?
The CAS number of O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate is 162085-93-0.
What is the molecular formula of O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate?
The molecular formula of O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate is C11H26NO2PS.
What is the molecular weight of O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate?
The molecular weight of O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate is 267.14 g/mol.
Where can I buy O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate?
You can request a quote for O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate?
Yes, KEHONG BIO provides custom synthesis services for O-Isopropyl S-2-diethylaminoethyl ethylphosphonothiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.