![ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate structure](/static/products/340/340029-72-3.png)
ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate
TL;DR: ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate (CAS 340029-72-3) is a chemical compound with molecular formula C18H16F4N2O4 and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-[(2-fluorophenyl)carbamoylamino]-2-phenoxypropanoate
Also Known As: ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate, ethyl 3,3,3-trifluoro-2-(3-(2-fluorophenyl)ureido)-2-phenoxypropanoate, ethyl 3,3,3-trifluoro-2-[(2-fluorophenyl)carbamoylamino]-2-phenoxypropanoate
| Molecular Formula | C18H16F4N2O4 |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 3.8479 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.1046 |
| Heavy Atoms | 28 |
| Complexity | 829.8353 |
Chemical Identifiers
| CAS Number | 340029-72-3 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=CC=C1F)OC2=CC=CC=C2 |
Product Overview
ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate (CAS 340029-72-3), with molecular formula C18H16F4N2O4 and molecular weight 400.10 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-[(2-fluorophenyl)carbamoylamino]-2-phenoxypropanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate
Property Insights of ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate
The XLogP value of 3.8479 indicates that ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-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 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-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 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate?
The CAS number of ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate is 340029-72-3.
What is the molecular formula of ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate?
The molecular formula of ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate is C18H16F4N2O4.
What is the molecular weight of ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate?
The molecular weight of ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate is 400.10 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate?
You can request a quote for ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-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 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-N-[(2-fluorophenyl)carbamoyl]-2-phenoxyalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.