Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester
TL;DR: Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester (CAS 40580-62-9) is a chemical compound with molecular formula C14H30NO4PS and molecular weight 339.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibutyl-2-diethoxyphosphorylsulfanylacetamide
Also Known As: N,N-dibutyl-2-diethoxyphosphorylsulfanylacetamide, O,O-Diethyl S-(N,N-di-n-butylcarbamoylmethyl) phosphorothiolate, Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester, s-[2-(dibutylamino)-2-oxoethyl] o,o-diethyl phosphorothioate, BRN 2286929
| Molecular Formula | C14H30NO4PS |
|---|---|
| Molecular Weight | 339.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 339.16333 |
| Heavy Atoms | 21 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 40580-62-9 |
|---|---|
| SMILES | CCCCN(CCCC)C(=O)CSP(=O)(OCC)OCC |
| InChIKey | HAECVHNQJMZILX-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester (CAS 40580-62-9), with molecular formula C14H30NO4PS and molecular weight 339.16 g/mol. IUPAC: N,N-dibutyl-2-diethoxyphosphorylsulfanylacetamide.
Chemical Property Profile of Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester
Property Insights of Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl 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-(dibutylamino)-2-oxoethyl) O,O-diethyl ester?
The CAS number of Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester is 40580-62-9.
What is the molecular formula of Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester?
The molecular formula of Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester is C14H30NO4PS.
What is the molecular weight of Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester?
The molecular weight of Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester is 339.16 g/mol.
Where can I buy Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester?
You can request a quote for Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl 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-(dibutylamino)-2-oxoethyl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.