Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester
TL;DR: Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester (CAS 68090-95-9) is a chemical compound with molecular formula C13H22NO2PS and molecular weight 287.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N,4-dimethylaniline
Also Known As: Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester, o-ethyl s-{2-[methyl(4-methylphenyl)amino]ethyl} methylphosphonothioate, Phosphonothioic acid, methyl-, O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester, N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N,4-dimethylaniline, BRN 2127423
| Molecular Formula | C13H22NO2PS |
|---|---|
| Molecular Weight | 287.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.1109 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 68090-95-9 |
|---|---|
| SMILES | CCOP(=O)(C)SCCN(C)C1=CC=C(C=C1)C |
| InChIKey | QQBJQSFKEUGSEA-UHFFFAOYSA-N |
Product Overview
Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester (CAS 68090-95-9), with molecular formula C13H22NO2PS and molecular weight 287.11 g/mol. IUPAC: N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N,4-dimethylaniline.
Chemical Property Profile of Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester
Property Insights of Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester. With a topological polar surface area (TPSA) of 54.8 Ų, Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester 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 Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester?
The CAS number of Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester is 68090-95-9.
What is the molecular formula of Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester?
The molecular formula of Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester is C13H22NO2PS.
What is the molecular weight of Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester?
The molecular weight of Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester is 287.11 g/mol.
Where can I buy Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester?
You can request a quote for Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Methylphosphonothioic acid O-ethyl S-(2-(methyl(4-methylphenyl)amino)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.