![4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide structure](/static/products/4782/478259-57-3.webp)
4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide
TL;DR: 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide (CAS 478259-57-3) is a chemical compound with molecular formula C17H17F3N2O2 and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
Also Known As: 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide, 4-butanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide, 4-butanoyl-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide, 8R-0296
| Molecular Formula | C17H17F3N2O2 |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 3.9463 |
| Topological Polar Surface Area | 61.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.1242 |
| Heavy Atoms | 24 |
| Complexity | 735.43207 |
Chemical Identifiers
| CAS Number | 478259-57-3 |
|---|---|
| SMILES | CCCC(=O)C1=CNC(=C1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F |
Product Overview
4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide (CAS 478259-57-3), with molecular formula C17H17F3N2O2 and molecular weight 338.12 g/mol. IUPAC: 4-butanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide.
Chemical Property Profile of 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide
Property Insights of 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide
The XLogP value of 3.9463 indicates that 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide. Following Lipinski's Rule of Five, 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide has 2 hydrogen bond donor(s) and 2 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 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide?
The CAS number of 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide is 478259-57-3.
What is the molecular formula of 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide?
The molecular formula of 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide is C17H17F3N2O2.
What is the molecular weight of 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide?
The molecular weight of 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide is 338.12 g/mol.
Where can I buy 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide?
You can request a quote for 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-butyryl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.