Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate
TL;DR: Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate (CAS 372155-73-2) is a chemical compound with molecular formula C17H23F3N2O3 and molecular weight 360.17 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-(3-methylbutanoylamino)propanoate
Also Known As: Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate, ethyl 2-(benzylamino)-3,3,3-trifluoro-N-(3-methylbutanoyl)alaninate, ETHYL 2-(BENZYLAMINO)-3,3,3-TRIFLUORO-2-(3-METHYLBUTANAMIDO)PROPANOATE
| Molecular Formula | C17H23F3N2O3 |
|---|---|
| Molecular Weight | 360.17 g/mol |
| LogP | 2.7602 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 360.16608 |
| Heavy Atoms | 25 |
| Complexity | 576.25085 |
Chemical Identifiers
| CAS Number | 372155-73-2 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NCC1=CC=CC=C1)NC(=O)CC(C)C |
Product Overview
Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate (CAS 372155-73-2), with molecular formula C17H23F3N2O3 and molecular weight 360.17 g/mol. IUPAC: ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate.
Chemical Property Profile of Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate
Property Insights of Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate
The XLogP value of 2.7602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate. Following Lipinski's Rule of Five, Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate 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-2-(3-methylbutanamido)propanoate?
The CAS number of Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate is 372155-73-2.
What is the molecular formula of Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate?
The molecular formula of Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate is C17H23F3N2O3.
What is the molecular weight of Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate?
The molecular weight of Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate is 360.17 g/mol.
Where can I buy Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate?
You can request a quote for Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate 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-2-(3-methylbutanamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.