Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate
TL;DR: Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate (CAS 254900-70-4) is a chemical compound with molecular formula C14H15F5N2O4 and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate
Also Known As: NCI60_030500, AB01283734-01, ethyl 2-[(3,4-difluorophenyl)amino]-N-(ethoxycarbonyl)-3,3,3-trifluoroalaninate, ethyl 2-((3,4-difluorophenyl)amino)-2-((ethoxycarbonyl)amino)-3,3,3-trifluoropropanoate, Ethyl 2-(3,4-difluoroanilino)-2-((ethoxycarbonyl)amino)-3,3,3-trifluoropropanoate
| Molecular Formula | C14H15F5N2O4 |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 370.09518 |
| Heavy Atoms | 25 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 254900-70-4 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=CC(=C(C=C1)F)F)NC(=O)OCC |
| InChIKey | IBCXUZHHULLMJR-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate (CAS 254900-70-4), with molecular formula C14H15F5N2O4 and molecular weight 370.10 g/mol. IUPAC: ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate.
Chemical Property Profile of Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate
Property Insights of Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate
The XLogP value of 4.1 indicates that Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate. Following Lipinski's Rule of Five, Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate 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-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate?
The CAS number of Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate is 254900-70-4.
What is the molecular formula of Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate?
The molecular formula of Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate is C14H15F5N2O4.
What is the molecular weight of Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate?
The molecular weight of Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate is 370.10 g/mol.
Where can I buy Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate?
You can request a quote for Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-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-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.