Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester
TL;DR: Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester (CAS 58607-59-3) is a chemical compound with molecular formula C9H20NO3PS and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]ethanamine
Also Known As: N,N-diethyl-2-[(2-oxo-1,3,2, Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester, 2-S-(2'-(N,N-Diethylamino)ethyl)thio-1,3,2-dioxaphosphorinane 2-oxide, 2-[[2-(Diethylamino)ethyl ]thio]-1,3,2-dioxaphosphorinane 2-oxide, 2-[[2-(Diethylamino)ethyl]thio]-1,3,2-dioxaphosphorinane 2-oxide
| Molecular Formula | C9H20NO3PS |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 2.6064 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.09015 |
| Heavy Atoms | 15 |
| Complexity | 213.403 |
Chemical Identifiers
| CAS Number | 58607-59-3 |
|---|---|
| SMILES | CCN(CC)CCSP1(=O)OCCCO1 |
Product Overview
Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester (CAS 58607-59-3), with molecular formula C9H20NO3PS and molecular weight 253.09 g/mol. IUPAC: N,N-diethyl-2-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]ethanamine.
Chemical Property Profile of Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester
Property Insights of Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester
The XLogP value of 2.6064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester. With a topological polar surface area (TPSA) of 38.77 Ų, Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester has 0 hydrogen bond donor(s) and 5 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, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester?
The CAS number of Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester is 58607-59-3.
What is the molecular formula of Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester?
The molecular formula of Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester is C9H20NO3PS.
What is the molecular weight of Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester?
The molecular weight of Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester is 253.09 g/mol.
Where can I buy Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester?
You can request a quote for Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene 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, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-(2-diethylaminoethyl) O,O-cyclic trimethylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.