Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate
TL;DR: Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate (CAS 311774-26-2) is a chemical compound with molecular formula C14H15Cl2F3N2O3 and molecular weight 386.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-(propanoylamino)propanoate
Also Known As: A1403/0062683, ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-(propanoylamino)propanoate, Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-(propionylamino)propanoate, Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate, ethyl 2-[(3,4-dichlorophenyl)amino]-3,3,3-trifluoro-N-propanoylalaninate
| Molecular Formula | C14H15Cl2F3N2O3 |
|---|---|
| Molecular Weight | 386.04 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.04117 |
| Heavy Atoms | 24 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 311774-26-2 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | PRQNJAJISBQTBA-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate (CAS 311774-26-2), with molecular formula C14H15Cl2F3N2O3 and molecular weight 386.04 g/mol. IUPAC: ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-(propanoylamino)propanoate.
Chemical Property Profile of Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate
Property Insights of Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate
The XLogP value of 4.9 indicates that Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate 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-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate. Following Lipinski's Rule of Five, Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate has 2 hydrogen bond donor(s) and 7 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-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate?
The CAS number of Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate is 311774-26-2.
What is the molecular formula of Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate?
The molecular formula of Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate is C14H15Cl2F3N2O3.
What is the molecular weight of Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate?
The molecular weight of Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate is 386.04 g/mol.
Where can I buy Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate?
You can request a quote for Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3,4-dichloroanilino)-3,3,3-trifluoro-2-propionamidopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.