O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate
TL;DR: O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate (CAS 73835-17-3) is a chemical compound with molecular formula C12H28NO2PS and molecular weight 281.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[ethoxy(ethyl)phosphoryl]sulfanylethyl]-N-propan-2-ylpropan-2-amine
Also Known As: J2.805.084D, O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate, o-Ethyl S-2-(diisopropylamino)ethyl ethylphosphonothiolate, S-[2-(Diisopropylamino)ethyl] o-ethyl ethylphosphonothioate, S-[2-(Diisopropylamino)ethyl] o-ethyl ethylphosphonothioate #
| Molecular Formula | C12H28NO2PS |
|---|---|
| Molecular Weight | 281.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 281.15784 |
| Heavy Atoms | 17 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 73835-17-3 |
|---|---|
| SMILES | CCOP(=O)(CC)SCCN(C(C)C)C(C)C |
| InChIKey | KQIZEWYIQBLXPT-UHFFFAOYSA-N |
Product Overview
O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate (CAS 73835-17-3), with molecular formula C12H28NO2PS and molecular weight 281.16 g/mol. IUPAC: N-[2-[ethoxy(ethyl)phosphoryl]sulfanylethyl]-N-propan-2-ylpropan-2-amine.
Chemical Property Profile of O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate
Property Insights of O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate. With a topological polar surface area (TPSA) of 54.8 Ų, O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Ethyl S-2-diisopropylaminoethyl 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-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate?
The CAS number of O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate is 73835-17-3.
What is the molecular formula of O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate?
The molecular formula of O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate is C12H28NO2PS.
What is the molecular weight of O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate?
The molecular weight of O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate is 281.16 g/mol.
Where can I buy O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate?
You can request a quote for O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl S-2-diisopropylaminoethyl ethylphosphonothiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.