![ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate structure](/static/products/327/327100-08-3.png)
ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate
TL;DR: ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate (CAS 327100-08-3) is a chemical compound with molecular formula C20H18F6N2O5 and molecular weight 480.11 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-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-2-phenoxypropanoate
Also Known As: ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate, ethyl 3,3,3-trifluoro-2-(3-(2-methoxy-5-(trifluoromethyl)phenyl)ureido)-2-phenoxypropanoate, Ethyl 3,3,3-trifluoro-2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-2-phenoxy-propanoate, ethyl 3,3,3-trifluoro-2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-2-phenoxypropanoate
| Molecular Formula | C20H18F6N2O5 |
|---|---|
| Molecular Weight | 480.11 g/mol |
| LogP | 4.7362 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.112 |
| Heavy Atoms | 33 |
| Complexity | 981.146 |
Chemical Identifiers
| CAS Number | 327100-08-3 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OC)OC2=CC=CC=C2 |
Product Overview
ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate (CAS 327100-08-3), with molecular formula C20H18F6N2O5 and molecular weight 480.11 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-2-phenoxypropanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate
Property Insights of ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate
The XLogP value of 4.7362 indicates that ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate has 2 hydrogen bond donor(s) and 5 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-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate?
The CAS number of ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate is 327100-08-3.
What is the molecular formula of ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate?
The molecular formula of ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate is C20H18F6N2O5.
What is the molecular weight of ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate?
The molecular weight of ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate is 480.11 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate?
You can request a quote for ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]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-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-N-{[2-methoxy-5-(trifluoromethyl)phenyl]carbamoyl}-2-phenoxyalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.