![diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate structure](/static/products/1269/126912-09-2.webp)
diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate
TL;DR: diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate (CAS 126912-09-2) is a chemical compound with molecular formula C12H20F6NO5P and molecular weight 403.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
Also Known As: diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate, NCI60_024560, ethyl N-[2-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate, Diisopropyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate, ethyl N-[1-diisopropoxyphosphoryl-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamate
| Molecular Formula | C12H20F6NO5P |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.09833 |
| Heavy Atoms | 25 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 126912-09-2 |
|---|---|
| SMILES | CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C |
| InChIKey | XQJCWEVWMDLRKO-UHFFFAOYSA-N |
Product Overview
diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate (CAS 126912-09-2), with molecular formula C12H20F6NO5P and molecular weight 403.10 g/mol. IUPAC: ethyl N-[2-di(propan-2-yloxy)phosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate.
Chemical Property Profile of diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate
Property Insights of diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate
The XLogP value of 3.4 indicates that diisopropyl [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 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate. Following Lipinski's Rule of Five, diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate?
The CAS number of diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate is 126912-09-2.
What is the molecular formula of diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate?
The molecular formula of diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate is C12H20F6NO5P.
What is the molecular weight of diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate?
The molecular weight of diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate is 403.10 g/mol.
Where can I buy diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate?
You can request a quote for diisopropyl [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 diisopropyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for diisopropyl [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.