1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)-
TL;DR: 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)- (CAS 1894-74-2) is a chemical compound with molecular formula C15H19F3N2O and molecular weight 300.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]butanamide
Also Known As: alpha-Ethyl-3'-(trifluoromethyl)-1-pyrrolidineacetanilide, alpha-Pirrolidino-3-trifluorometil-butirroanilide, 5-20-01-00353 (Beilstein Handbook Reference), 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)-, alpha-Pirrolidino-3-trifluorometil-butirroanilide [Italian]
| Molecular Formula | C15H19F3N2O |
|---|---|
| Molecular Weight | 300.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.14496 |
| Heavy Atoms | 21 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 1894-74-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)N2CCCC2 |
| InChIKey | LTJKCHBZIKMGCT-UHFFFAOYSA-N |
Product Overview
1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)- (CAS 1894-74-2), with molecular formula C15H19F3N2O and molecular weight 300.14 g/mol. IUPAC: 2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]butanamide.
Chemical Property Profile of 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)-
Property Insights of 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)-
The XLogP value of 3.5 indicates that 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)- has 1 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 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)-?
The CAS number of 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)- is 1894-74-2.
What is the molecular formula of 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)-?
The molecular formula of 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)- is C15H19F3N2O.
What is the molecular weight of 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)-?
The molecular weight of 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)- is 300.14 g/mol.
Where can I buy 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)-?
You can request a quote for 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrrolidineacetanilide, alpha-ethyl-3'-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.