ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate
TL;DR: ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate (CAS 355156-65-9) is a chemical compound with molecular formula C15H19F3N2O3 and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(propanoylamino)propanoate
Also Known As: ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate, Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(propanoylamino)propanoate, ethyl 2-(benzylamino)-3,3,3-trifluoro-2-propionamidopropanoate
| Molecular Formula | C15H19F3N2O3 |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 2.1241 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.13477 |
| Heavy Atoms | 23 |
| Complexity | 534.5187 |
Chemical Identifiers
| CAS Number | 355156-65-9 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NCC1=CC=CC=C1 |
Product Overview
ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate (CAS 355156-65-9), with molecular formula C15H19F3N2O3 and molecular weight 332.13 g/mol. IUPAC: ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(propanoylamino)propanoate.
Chemical Property Profile of ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate
Property Insights of ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate
The XLogP value of 2.1241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate. Following Lipinski's Rule of Five, ethyl 2-(benzylamino)-3,3,3-trifluoro-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 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate?
The CAS number of ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate is 355156-65-9.
What is the molecular formula of ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate?
The molecular formula of ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate is C15H19F3N2O3.
What is the molecular weight of ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate?
The molecular weight of ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate is 332.13 g/mol.
Where can I buy ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate?
You can request a quote for ethyl 2-(benzylamino)-3,3,3-trifluoro-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 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(benzylamino)-3,3,3-trifluoro-N-propanoylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.