![dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate structure](/static/products/1243/124345-38-6.webp)
dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate
TL;DR: dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate (CAS 124345-38-6) is a chemical compound with molecular formula C12H12Cl3F3NO5P and molecular weight 442.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-dimethoxyphosphorylethyl) N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate, (2,2,2-trichloro-1-dimethoxyphosphorylethyl) N-[3-(trifluoromethyl)phenyl]carbamate, 2,2,2-trichloro-1-(dimethoxyphosphoryl)ethyl N-[3-(trifluoromethyl)phenyl]carbamate
| Molecular Formula | C12H12Cl3F3NO5P |
|---|---|
| Molecular Weight | 442.95 g/mol |
| LogP | 5.4361 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.94708 |
| Heavy Atoms | 25 |
| Complexity | 660.1312 |
Chemical Identifiers
| CAS Number | 124345-38-6 |
|---|---|
| SMILES | COP(=O)(C(C(Cl)(Cl)Cl)OC(=O)NC1=CC=CC(=C1)C(F)(F)F)OC |
Product Overview
dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate (CAS 124345-38-6), with molecular formula C12H12Cl3F3NO5P and molecular weight 442.95 g/mol. IUPAC: (2,2,2-trichloro-1-dimethoxyphosphorylethyl) N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate
Property Insights of dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate
The XLogP value of 5.4361 indicates that dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate. Following Lipinski's Rule of Five, dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate?
The CAS number of dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate is 124345-38-6.
What is the molecular formula of dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate?
The molecular formula of dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate is C12H12Cl3F3NO5P.
What is the molecular weight of dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate?
The molecular weight of dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate is 442.95 g/mol.
Where can I buy dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate?
You can request a quote for dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl [2,2,2-trichloro-1-({[3-(trifluoromethyl)anilino]carbonyl}oxy)ethyl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.