Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester
TL;DR: Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester (CAS 5335-85-3) is a chemical compound with molecular formula C14H30NO3PS2 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibutyl-2-diethoxyphosphinothioylsulfanylacetamide
Also Known As: 4-04-00-00599 (Beilstein Handbook Reference), Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester, O,O-Diethyl S-(N,N-di-n-butylcarbamoylmethyl) phosphorodithioate, N,N-dibutyl-2-diethoxyphosphinothioylsulfanylacetamide, s-[2-(dibutylamino)-2-oxoethyl] o,o-diethyl phosphorodithioate
| Molecular Formula | C14H30NO3PS2 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 355.14047 |
| Heavy Atoms | 21 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 5335-85-3 |
|---|---|
| SMILES | CCCCN(CCCC)C(=O)CSP(=S)(OCC)OCC |
| InChIKey | ZSRCUGXSAJPTIV-UHFFFAOYSA-N |
Product Overview
Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester (CAS 5335-85-3), with molecular formula C14H30NO3PS2 and molecular weight 355.14 g/mol. IUPAC: N,N-dibutyl-2-diethoxyphosphinothioylsulfanylacetamide.
Chemical Property Profile of Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester
Property Insights of Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester
The XLogP value of 4.4 indicates that Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorodithioic 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 Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester?
The CAS number of Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester is 5335-85-3.
What is the molecular formula of Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester?
The molecular formula of Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester is C14H30NO3PS2.
What is the molecular weight of Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester?
The molecular weight of Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester is 355.14 g/mol.
Where can I buy Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester?
You can request a quote for Phosphorodithioic 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 Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodithioic acid, S-(2-(dibutylamino)-2-oxoethyl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.