![1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide structure](/static/products/6464/646497-76-9.webp)
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide
TL;DR: 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide (CAS 646497-76-9) is a chemical compound with molecular formula C18H16BrFN2O and molecular weight 374.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]ethanone bromide
Also Known As: 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide, 1-(4-fluorophenyl)-2-[5-(pyrrol-1-ylmethyl)pyridin-1-yl]ethanone Bromide, 1-(4-fluorophenyl)-2-[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]ethanone bromide, 1-(4-fluorophenyl)-2-[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]ethanone;bromide, 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(pyrrol-1-ylmethyl)pyridin-1-ium bromide
| Molecular Formula | C18H16BrFN2O |
|---|---|
| Molecular Weight | 374.04 g/mol |
| LogP | -0.1501 |
| Topological Polar Surface Area | 25.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.043 |
| Heavy Atoms | 23 |
| Complexity | 769.9804 |
Chemical Identifiers
| CAS Number | 646497-76-9 |
|---|---|
| SMILES | C1=CN(C=C1)CC2=C[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)F.[Br-] |
Product Overview
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide (CAS 646497-76-9), with molecular formula C18H16BrFN2O and molecular weight 374.04 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[3-(pyrrol-1-ylmethyl)pyridin-1-ium-1-yl]ethanone bromide.
Chemical Property Profile of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide
Property Insights of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide
The XLogP value of -0.1501 indicates that 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.88 Ų, 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide has 0 hydrogen bond donor(s) and 1 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-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide?
The CAS number of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide is 646497-76-9.
What is the molecular formula of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide?
The molecular formula of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide is C18H16BrFN2O.
What is the molecular weight of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide?
The molecular weight of 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide is 374.04 g/mol.
Where can I buy 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide?
You can request a quote for 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.