![2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate structure](/static/products/1082/108217-08-9.webp)
2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate
TL;DR: 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate (CAS 108217-08-9) is a chemical compound with molecular formula C8H14BrCl3NO5P and molecular weight 418.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate
Also Known As: Diethyl(TROC-amino)bromomethylphosphonate, 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate, J2.062.308J, Diethyl (bromo{[(2,2,2-trichloroethoxy)carbonyl]amino}methyl)phosphonate, [[(2,2,2-Trichloroethoxycarbonyl)amino]bromomethyl]phosphonic acid diethyl ester
| Molecular Formula | C8H14BrCl3NO5P |
|---|---|
| Molecular Weight | 418.89 g/mol |
| LogP | 4.0274 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.88586 |
| Heavy Atoms | 19 |
| Complexity | 330.83633 |
Chemical Identifiers
| CAS Number | 108217-08-9 |
|---|---|
| SMILES | CCOP(=O)(C(NC(=O)OCC(Cl)(Cl)Cl)Br)OCC |
Product Overview
2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate (CAS 108217-08-9), with molecular formula C8H14BrCl3NO5P and molecular weight 418.89 g/mol. IUPAC: 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate.
Chemical Property Profile of 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate
Property Insights of 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate
The XLogP value of 4.0274 indicates that 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate 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 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate. Following Lipinski's Rule of Five, 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate has 1 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 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate?
The CAS number of 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate is 108217-08-9.
What is the molecular formula of 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate?
The molecular formula of 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate is C8H14BrCl3NO5P.
What is the molecular weight of 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate?
The molecular weight of 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate is 418.89 g/mol.
Where can I buy 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate?
You can request a quote for 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.