Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate
TL;DR: Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate (CAS 255714-68-2) is a chemical compound with molecular formula C18H14ClF5N2O3 and molecular weight 436.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chlorobenzoyl)amino]-2-(2,4-difluoroanilino)-3,3,3-trifluoropropanoate
Also Known As: Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate, ethyl N-[(3-chlorophenyl)carbonyl]-2-[(2,4-difluorophenyl)amino]-3,3,3-trifluoroalaninate, ethyl 2-(3-chlorobenzamido)-2-((2,4-difluorophenyl)amino)-3,3,3-trifluoropropanoate, Ethyl 2-[(3-chlorobenzoyl)amino]-2-(2,4-difluoroanilino)-3,3,3-trifluoropropanoate, Ethyl 2-[(3-chlorobenzoyl)amino]-2-(2,4-difluoroanilino)-3,3,3-trifluoropropanoate #
| Molecular Formula | C18H14ClF5N2O3 |
|---|---|
| Molecular Weight | 436.06 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.0613 |
| Heavy Atoms | 29 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 255714-68-2 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=C(C=C(C=C1)F)F)NC(=O)C2=CC(=CC=C2)Cl |
| InChIKey | CBNLCGXRIDCODQ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate (CAS 255714-68-2), with molecular formula C18H14ClF5N2O3 and molecular weight 436.06 g/mol. IUPAC: ethyl 2-[(3-chlorobenzoyl)amino]-2-(2,4-difluoroanilino)-3,3,3-trifluoropropanoate.
Chemical Property Profile of Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate
Property Insights of Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate
The XLogP value of 5.6 indicates that Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate. Following Lipinski's Rule of Five, Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate?
The CAS number of Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate is 255714-68-2.
What is the molecular formula of Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate?
The molecular formula of Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate is C18H14ClF5N2O3.
What is the molecular weight of Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate?
The molecular weight of Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate is 436.06 g/mol.
Where can I buy Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate?
You can request a quote for Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-chlorobenzamido)-2-(2,4-difluoroanilino)-3,3,3-trifluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.