Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester
TL;DR: Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester (CAS 52868-53-8) is a chemical compound with molecular formula C6H12NO5PS and molecular weight 241.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[methoxy(methylsulfanyl)phosphoryl]amino]-2-oxoacetate
Also Known As: Oxalylmethamidophos, ACETIC ACID, ((METHOXY(METHYLTHIO)PHOSPHINYL)AMINO)OXO-, ETHYL ESTER, Ethyl {[methoxy(methylsulfanyl)phosphoryl]amino}(oxo)acetate, ethyl 2-[[methoxy(methylsulfanyl)phosphoryl]amino]-2-oxoacetate, BRN 2109501
| Molecular Formula | C6H12NO5PS |
|---|---|
| Molecular Weight | 241.02 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 241.01738 |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 52868-53-8 |
|---|---|
| SMILES | CCOC(=O)C(=O)NP(=O)(OC)SC |
| InChIKey | KNGMWKJQTSWAIS-UHFFFAOYSA-N |
Product Overview
Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester (CAS 52868-53-8), with molecular formula C6H12NO5PS and molecular weight 241.02 g/mol. IUPAC: ethyl 2-[[methoxy(methylsulfanyl)phosphoryl]amino]-2-oxoacetate.
Chemical Property Profile of Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester
Property Insights of Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester
The XLogP value of -0.2 indicates that Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester has 1 hydrogen bond donor(s) and 6 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 Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester?
The CAS number of Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester is 52868-53-8.
What is the molecular formula of Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester?
The molecular formula of Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester is C6H12NO5PS.
What is the molecular weight of Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester?
The molecular weight of Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester is 241.02 g/mol.
Where can I buy Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester?
You can request a quote for Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((methoxy(methylthio)phosphinyl)amino)oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.