O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate
TL;DR: O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate (CAS 162085-92-9) is a chemical compound with molecular formula C9H22NO2PS and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethyl(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine
Also Known As: J2.804.801G, O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate, S-[2-(Dimethylamino)ethyl] o-isopropyl ethylphosphonothioate, S-[2-(Dimethylamino)ethyl] o-isopropyl ethylphosphonothioate #, 2-[ethyl(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine
| Molecular Formula | C9H22NO2PS |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.11089 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 162085-92-9 |
|---|---|
| SMILES | CCP(=O)(OC(C)C)SCCN(C)C |
| InChIKey | BIMXZYDFIXDYDT-UHFFFAOYSA-N |
Product Overview
O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate (CAS 162085-92-9), with molecular formula C9H22NO2PS and molecular weight 239.11 g/mol. IUPAC: 2-[ethyl(propan-2-yloxy)phosphoryl]sulfanyl-N,N-dimethylethanamine.
Chemical Property Profile of O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate
Property Insights of O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate. With a topological polar surface area (TPSA) of 54.8 Ų, O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Isopropyl S-2-dimethylaminoethyl 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-dimethylaminoethyl ethylphosphonothiolate?
The CAS number of O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate is 162085-92-9.
What is the molecular formula of O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate?
The molecular formula of O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate is C9H22NO2PS.
What is the molecular weight of O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate?
The molecular weight of O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate is 239.11 g/mol.
Where can I buy O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate?
You can request a quote for O-Isopropyl S-2-dimethylaminoethyl 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-dimethylaminoethyl ethylphosphonothiolate?
Yes, KEHONG BIO provides custom synthesis services for O-Isopropyl S-2-dimethylaminoethyl ethylphosphonothiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.