Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester
TL;DR: Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester (CAS 1958-99-2) is a chemical compound with molecular formula C10H22F2NO3PS and molecular weight 305.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphinothioyloxy-N,N-bis(2-fluoroethyl)ethanamine
Also Known As: O-(2-(Bis(2-fluoroethyl)amino)ethyl) O,O-diethyl phosphorothioate, Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester, 2-diethoxyphosphinothioyloxy-N,N-bis(2-fluoroethyl)ethanamine, O-{2-[Bis(2-fluoroethyl)amino]ethyl} O,O-diethyl phosphorothioate, RefChem:371400
| Molecular Formula | C10H22F2NO3PS |
|---|---|
| Molecular Weight | 305.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 305.1026 |
| Heavy Atoms | 18 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 1958-99-2 |
|---|---|
| SMILES | CCOP(=S)(OCC)OCCN(CCF)CCF |
| InChIKey | KUCQHBKHRLAPQP-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester (CAS 1958-99-2), with molecular formula C10H22F2NO3PS and molecular weight 305.10 g/mol. IUPAC: 2-diethoxyphosphinothioyloxy-N,N-bis(2-fluoroethyl)ethanamine.
Chemical Property Profile of Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester
Property Insights of Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester has 0 hydrogen bond donor(s) and 7 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 Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester?
The CAS number of Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester is 1958-99-2.
What is the molecular formula of Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester?
The molecular formula of Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester is C10H22F2NO3PS.
What is the molecular weight of Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester?
The molecular weight of Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester is 305.10 g/mol.
Where can I buy Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester?
You can request a quote for Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(2-(bis(2-fluoroethyl)amino)ethyl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.