![diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate structure](/static/products/2563/256333-21-8.webp)
diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate
TL;DR: diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate (CAS 256333-21-8) is a chemical compound with molecular formula C13H17F6NO6 and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]propanedioate
Also Known As: diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate, NCI60_025482, diethyl 2-[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]propanedioate, Diethyl 2-(1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)malonate, 1,3-diethyl 2-{2-[(ethoxycarbonyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}propanedioate
| Molecular Formula | C13H17F6NO6 |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 397.096 |
| Heavy Atoms | 26 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 256333-21-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC |
| InChIKey | LXVWXEZZBPHFJH-UHFFFAOYSA-N |
Product Overview
diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate (CAS 256333-21-8), with molecular formula C13H17F6NO6 and molecular weight 397.10 g/mol. IUPAC: diethyl 2-[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]propanedioate.
Chemical Property Profile of diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate
Property Insights of diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate
The XLogP value of 3.1 indicates that diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate. Following Lipinski's Rule of Five, diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate?
The CAS number of diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate is 256333-21-8.
What is the molecular formula of diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate?
The molecular formula of diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate is C13H17F6NO6.
What is the molecular weight of diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate?
The molecular weight of diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate is 397.10 g/mol.
Where can I buy diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate?
You can request a quote for diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-[1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.