Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate
TL;DR: Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate (CAS 340030-32-2) is a chemical compound with molecular formula C12H11F7N2O2 and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[1,1,1,3,3,3-hexafluoro-2-(3-fluoroanilino)propan-2-yl]carbamate
Also Known As: NCI60_025474, BIM-0019135.P001, Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate, ethyl (1,1,1,3,3,3-hexafluoro-2-((3-fluorophenyl)amino)propan-2-yl)carbamate, ethyl N-[1,1,1,3,3,3-hexafluoro-2-(3-fluoroanilino)propan-2-yl]carbamate
| Molecular Formula | C12H11F7N2O2 |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.07086 |
| Heavy Atoms | 23 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 340030-32-2 |
|---|---|
| SMILES | CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC(=CC=C1)F |
| InChIKey | KGMLTQCQTSEXKL-UHFFFAOYSA-N |
Product Overview
Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate (CAS 340030-32-2), with molecular formula C12H11F7N2O2 and molecular weight 348.07 g/mol. IUPAC: ethyl N-[1,1,1,3,3,3-hexafluoro-2-(3-fluoroanilino)propan-2-yl]carbamate.
Chemical Property Profile of Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate
Property Insights of Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate
The XLogP value of 4.9 indicates that Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate has 2 hydrogen bond donor(s) and 10 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 Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate?
The CAS number of Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate is 340030-32-2.
What is the molecular formula of Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate?
The molecular formula of Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate is C12H11F7N2O2.
What is the molecular weight of Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate?
The molecular weight of Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate is 348.07 g/mol.
Where can I buy Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate?
You can request a quote for Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2,2-trifluoro-1-(3-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.