Methylacetophos
TL;DR: Methylacetophos (CAS 2088-72-4) is a chemical compound with molecular formula C6H13O5PS and molecular weight 228.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-dimethoxyphosphorylsulfanylacetate
Also Known As: Methylacetophos, Methyl acetophos, Methyl acetoxon, Methylacetaphos, Methyl acetaphos
| Molecular Formula | C6H13O5PS |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.02213 |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 2088-72-4 |
|---|---|
| SMILES | CCOC(=O)CSP(=O)(OC)OC |
| InChIKey | LIXQYRZDAFGLSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylacetophos (CAS 2088-72-4), with molecular formula C6H13O5PS and molecular weight 228.02 g/mol. IUPAC: ethyl 2-dimethoxyphosphorylsulfanylacetate.
Chemical Property Profile of Methylacetophos
Property Insights of Methylacetophos
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylacetophos. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylacetophos. Following Lipinski's Rule of Five, Methylacetophos has 0 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 Methylacetophos?
The CAS number of Methylacetophos is 2088-72-4.
What is the molecular formula of Methylacetophos?
The molecular formula of Methylacetophos is C6H13O5PS.
What is the molecular weight of Methylacetophos?
The molecular weight of Methylacetophos is 228.02 g/mol.
Where can I buy Methylacetophos?
You can request a quote for Methylacetophos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylacetophos?
Yes, KEHONG BIO provides custom synthesis services for Methylacetophos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.