![ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate structure](/static/products/305/305869-79-8.png)
ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate
TL;DR: ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate (CAS 305869-79-8) is a chemical compound with molecular formula C14H16ClF3N2O4 and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-ethoxy-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-(3-(4-chlorophenyl)ureido)-2-ethoxy-3,3,3-trifluoropropanoate, ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate, ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-ethoxy-3,3,3-trifluoropropanoate
| Molecular Formula | C14H16ClF3N2O4 |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 3.3197 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.07507 |
| Heavy Atoms | 24 |
| Complexity | 580.37744 |
Chemical Identifiers
| CAS Number | 305869-79-8 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)Cl)OCC |
Product Overview
ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate (CAS 305869-79-8), with molecular formula C14H16ClF3N2O4 and molecular weight 368.08 g/mol. IUPAC: ethyl 2-[(4-chlorophenyl)carbamoylamino]-2-ethoxy-3,3,3-trifluoropropanoate.
Chemical Property Profile of ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate
Property Insights of ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate
The XLogP value of 3.3197 indicates that ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate 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-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate. Following Lipinski's Rule of Five, ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate 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-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate?
The CAS number of ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate is 305869-79-8.
What is the molecular formula of ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate?
The molecular formula of ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate is C14H16ClF3N2O4.
What is the molecular weight of ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate?
The molecular weight of ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate is 368.08 g/mol.
Where can I buy ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate?
You can request a quote for ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(4-chlorophenyl)carbamoyl]-2-ethoxy-3,3,3-trifluoroalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.