Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate
TL;DR: Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate (CAS 5952-41-0) is a chemical compound with molecular formula C6H10Cl3O5P and molecular weight 297.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-dimethoxyphosphorylethyl) acetate
Also Known As: Chloracetophos, Acetyl dipterex, Acetoxy-trichlorfon, Dipterex, acetyl-, (2,2,2-trichloro-1-dimethoxyphosphorylethyl) acetate
| Molecular Formula | C6H10Cl3O5P |
|---|---|
| Molecular Weight | 297.93 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.93314 |
| Heavy Atoms | 15 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 5952-41-0 |
|---|---|
| SMILES | CC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC |
| InChIKey | ZZPVQMWDAFFLSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate (CAS 5952-41-0), with molecular formula C6H10Cl3O5P and molecular weight 297.93 g/mol. IUPAC: (2,2,2-trichloro-1-dimethoxyphosphorylethyl) acetate.
Chemical Property Profile of Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate
Property Insights of Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate. Following Lipinski's Rule of Five, Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate 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 Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate?
The CAS number of Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate is 5952-41-0.
What is the molecular formula of Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate?
The molecular formula of Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate is C6H10Cl3O5P.
What is the molecular weight of Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate?
The molecular weight of Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate is 297.93 g/mol.
Where can I buy Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate?
You can request a quote for Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl P-(1-(acetyloxy)-2,2,2-trichloroethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.