O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate
TL;DR: O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate (CAS 162085-95-2) is a chemical compound with molecular formula C13H30NO2PS and molecular weight 295.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[ethyl(propan-2-yloxy)phosphoryl]sulfanylethyl]-N-propan-2-ylpropan-2-amine
Also Known As: J2.804.804A, O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate, S-[2-(Diisopropylamino)ethyl] o-isopropyl ethylphosphonothioate, S-[2-(Diisopropylamino)ethyl] o-isopropyl ethylphosphonothioate #, Ethylphosphonothioic acid O-isopropyl S-[2-(diisopropylamino)ethyl] ester
| Molecular Formula | C13H30NO2PS |
|---|---|
| Molecular Weight | 295.17 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 | 295.1735 |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 162085-95-2 |
|---|---|
| SMILES | CCP(=O)(OC(C)C)SCCN(C(C)C)C(C)C |
| InChIKey | DGZWREVCJRZEFR-UHFFFAOYSA-N |
Product Overview
O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate (CAS 162085-95-2), with molecular formula C13H30NO2PS and molecular weight 295.17 g/mol. IUPAC: N-[2-[ethyl(propan-2-yloxy)phosphoryl]sulfanylethyl]-N-propan-2-ylpropan-2-amine.
Chemical Property Profile of O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate
Property Insights of O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate. With a topological polar surface area (TPSA) of 54.8 Ų, O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Isopropyl 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-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate?
The CAS number of O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate is 162085-95-2.
What is the molecular formula of O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate?
The molecular formula of O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate is C13H30NO2PS.
What is the molecular weight of O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate?
The molecular weight of O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate is 295.17 g/mol.
Where can I buy O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate?
You can request a quote for O-Isopropyl 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-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate?
Yes, KEHONG BIO provides custom synthesis services for O-Isopropyl S-2-diisopropylaminoethyl ethylphosphonothiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.