ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate
TL;DR: ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate (CAS 355156-63-7) is a chemical compound with molecular formula C14H17F3N2O3 and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-anilino-3,3,3-trifluoro-2-(propanoylamino)propanoate
Also Known As: ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate, ethyl 2-anilino-3,3,3-trifluoro-2-(propanoylamino)propanoate, ethyl 3,3,3-trifluoro-2-(phenylamino)-2-propionamidopropanoate, 3,3,3-Trifluoro-2-phenylamino-2-propionylamino-propionic acid ethyl ester
| Molecular Formula | C14H17F3N2O3 |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 2.4464 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.11914 |
| Heavy Atoms | 22 |
| Complexity | 519.8144 |
Chemical Identifiers
| CAS Number | 355156-63-7 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=CC=C1 |
Product Overview
ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate (CAS 355156-63-7), with molecular formula C14H17F3N2O3 and molecular weight 318.12 g/mol. IUPAC: ethyl 2-anilino-3,3,3-trifluoro-2-(propanoylamino)propanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate
Property Insights of ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate
The XLogP value of 2.4464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate 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-2-(phenylamino)-N-propanoylalaninate?
The CAS number of ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate is 355156-63-7.
What is the molecular formula of ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate?
The molecular formula of ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate is C14H17F3N2O3.
What is the molecular weight of ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate?
The molecular weight of ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate is 318.12 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate?
You can request a quote for ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate 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-2-(phenylamino)-N-propanoylalaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-2-(phenylamino)-N-propanoylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.