Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester
TL;DR: Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester (CAS 40574-17-2) is a chemical compound with molecular formula C12H26NO4PS and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylsulfanyl-N,N-dipropylacetamide
Also Known As: 2-diethoxyphosphorylsulfanyl-N,N-dipropylacetamide, Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester, s-[2-(dipropylamino)-2-oxoethyl] o,o-diethyl phosphorothioate, O,O-Diethyl S-(N,N-di-n-propylcarbamoylmethyl) phosphorothiolate, BRN 2282155
| Molecular Formula | C12H26NO4PS |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 311.13202 |
| Heavy Atoms | 19 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 40574-17-2 |
|---|---|
| SMILES | CCCN(CCC)C(=O)CSP(=O)(OCC)OCC |
| InChIKey | GQRHWKXYHINFOF-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester (CAS 40574-17-2), with molecular formula C12H26NO4PS and molecular weight 311.13 g/mol. IUPAC: 2-diethoxyphosphorylsulfanyl-N,N-dipropylacetamide.
Chemical Property Profile of Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester
Property Insights of Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) 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, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester?
The CAS number of Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester is 40574-17-2.
What is the molecular formula of Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester?
The molecular formula of Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester is C12H26NO4PS.
What is the molecular weight of Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester?
The molecular weight of Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester is 311.13 g/mol.
Where can I buy Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester?
You can request a quote for Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) 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,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-diethyl S-(2-(dipropylamino)-2-oxoethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.