![ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate structure](/static/products/317/317840-01-0.png)
ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate
TL;DR: ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate (CAS 317840-01-0) is a chemical compound with molecular formula C18H15F5N2O4 and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2,4-difluorophenyl)carbamoylamino]-3,3,3-trifluoro-2-phenoxypropanoate
Also Known As: ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate, 2-[3-(2,4-Difluoro-phenyl)-ureido]-3,3,3-trifluoro-2-phenoxy-propionic acid ethyl ester, ethyl 2-(3-(2,4-difluorophenyl)ureido)-3,3,3-trifluoro-2-phenoxypropanoate, ethyl 2-[(2,4-difluorophenyl)carbamoylamino]-3,3,3-trifluoro-2-phenoxypropanoate
| Molecular Formula | C18H15F5N2O4 |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 3.987 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.09518 |
| Heavy Atoms | 29 |
| Complexity | 876.30035 |
Chemical Identifiers
| CAS Number | 317840-01-0 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=C(C=C(C=C1)F)F)OC2=CC=CC=C2 |
Product Overview
ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate (CAS 317840-01-0), with molecular formula C18H15F5N2O4 and molecular weight 418.10 g/mol. IUPAC: ethyl 2-[(2,4-difluorophenyl)carbamoylamino]-3,3,3-trifluoro-2-phenoxypropanoate.
Chemical Property Profile of ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate
Property Insights of ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate
The XLogP value of 3.987 indicates that ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate. Following Lipinski's Rule of Five, ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate has 2 hydrogen bond donor(s) and 4 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 N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate?
The CAS number of ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate is 317840-01-0.
What is the molecular formula of ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate?
The molecular formula of ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate is C18H15F5N2O4.
What is the molecular weight of ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate?
The molecular weight of ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate is 418.10 g/mol.
Where can I buy ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate?
You can request a quote for ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-phenoxyalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.