![N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline structure](/static/products/314/314291-56-0.png)
N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline
TL;DR: N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline (CAS 314291-56-0) is a chemical compound with molecular formula C12H9F3N2O and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine
Also Known As: TimTec1_002571, AN-329/11450260, N-(1H-pyrrol-2-ylmethylene)-4-(trifluoromethoxy)aniline, N-(pyrrol-2-ylidenemethyl)-4-(trifluoromethoxy)aniline, N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline
| Molecular Formula | C12H9F3N2O |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.0667 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 314291-56-0 |
|---|---|
| SMILES | C1=CNC(=C1)C=NC2=CC=C(C=C2)OC(F)(F)F |
| InChIKey | XUIVQDHFMGMMRH-UHFFFAOYSA-N |
Product Overview
N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline (CAS 314291-56-0), with molecular formula C12H9F3N2O and molecular weight 254.07 g/mol. IUPAC: 1-(1H-pyrrol-2-yl)-N-[4-(trifluoromethoxy)phenyl]methanimine.
Chemical Property Profile of N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline
Property Insights of N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline
The XLogP value of 3.5 indicates that N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline 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 N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline?
The CAS number of N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline is 314291-56-0.
What is the molecular formula of N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline?
The molecular formula of N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline is C12H9F3N2O.
What is the molecular weight of N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline?
The molecular weight of N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline is 254.07 g/mol.
Where can I buy N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline?
You can request a quote for N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-1H-pyrrol-2-ylmethylidene]-4-(trifluoromethoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.