(E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate
TL;DR: (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate (CAS 371946-73-5) is a chemical compound with molecular formula C21H18F7N3O4 and molecular weight 509.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-[[2,2,2-trifluoro-1-(4-fluoroanilino)ethylidene]amino]propanoate
Also Known As: (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate, ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-[[2,2,2-trifluoro-1-(4-fluoroanilino)ethylidene]amino]propanoate
| Molecular Formula | C21H18F7N3O4 |
|---|---|
| Molecular Weight | 509.12 g/mol |
| LogP | 4.4587 |
| Topological Polar Surface Area | 89.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.11856 |
| Heavy Atoms | 35 |
| Complexity | 1068.3112 |
Chemical Identifiers
| CAS Number | 371946-73-5 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=C(C=C1)OC)N=C(C(F)(F)F)NC2=CC=C(C=C2)F |
Product Overview
(E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate (CAS 371946-73-5), with molecular formula C21H18F7N3O4 and molecular weight 509.12 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-[(4-methoxybenzoyl)amino]-2-[[2,2,2-trifluoro-1-(4-fluoroanilino)ethylidene]amino]propanoate.
Chemical Property Profile of (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate
Property Insights of (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate
The XLogP value of 4.4587 indicates that (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate. Following Lipinski's Rule of Five, (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate?
The CAS number of (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate is 371946-73-5.
What is the molecular formula of (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate?
The molecular formula of (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate is C21H18F7N3O4.
What is the molecular weight of (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate?
The molecular weight of (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate is 509.12 g/mol.
Where can I buy (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate?
You can request a quote for (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 3,3,3-trifluoro-2-(4-methoxybenzamido)-2-(2,2,2-trifluoro-N'-(4-fluorophenyl)acetimidamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.