![dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate structure](/static/products/1269/126912-07-0.webp)
dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate
TL;DR: dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate (CAS 126912-07-0) is a chemical compound with molecular formula C8H12F6NO5P and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
Also Known As: dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate, ethyl N-(2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate, ethyl N-[2-(dimethoxyphosphoryl)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate, N-[1-(Trifluoromethyl)-1-(dimethoxyphosphinoyl)-2,2,2-trifluoroethyl]carbamic acid ethyl ester
| Molecular Formula | C8H12F6NO5P |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 3.0393 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.03574 |
| Heavy Atoms | 21 |
| Complexity | 400.36108 |
Chemical Identifiers
| CAS Number | 126912-07-0 |
|---|---|
| SMILES | CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OC)OC |
Product Overview
dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate (CAS 126912-07-0), with molecular formula C8H12F6NO5P and molecular weight 347.04 g/mol. IUPAC: ethyl N-(2-dimethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.
Chemical Property Profile of dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate
Property Insights of dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate
The XLogP value of 3.0393 indicates that dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)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 [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate. Following Lipinski's Rule of Five, dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate 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 dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate?
The CAS number of dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate is 126912-07-0.
What is the molecular formula of dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate?
The molecular formula of dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate is C8H12F6NO5P.
What is the molecular weight of dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate?
The molecular weight of dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate is 347.04 g/mol.
Where can I buy dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate?
You can request a quote for dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)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 [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.