![1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide structure](/static/products/5313/5313-81-5.webp)
1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide
TL;DR: 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide (CAS 5313-81-5) is a chemical compound with molecular formula C14H13Br2NO and molecular weight 368.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)ethanone bromide
Also Known As: 1-[2-(4-bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide, 1-(4-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)ethanone;bromide, 1-(4-bromophenyl)-2-(5-methylpyridin-1-yl)ethanone Bromide, 1-(4-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)ethanone bromide, 1-[2-(4-BROMOPHENYL)-2-OXOETHYL]-3-METHYLPYRIDIN-1-IUM BROMIDE
| Molecular Formula | C14H13Br2NO |
|---|---|
| Molecular Weight | 368.94 g/mol |
| LogP | -0.06808 |
| Topological Polar Surface Area | 20.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.9364 |
| Heavy Atoms | 18 |
| Complexity | 537.7452 |
Chemical Identifiers
| CAS Number | 5313-81-5 |
|---|---|
| SMILES | CC1=C[N+](=CC=C1)CC(=O)C2=CC=C(C=C2)Br.[Br-] |
Product Overview
1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide (CAS 5313-81-5), with molecular formula C14H13Br2NO and molecular weight 368.94 g/mol. IUPAC: 1-(4-bromophenyl)-2-(3-methylpyridin-1-ium-1-yl)ethanone bromide.
Chemical Property Profile of 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide
Property Insights of 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide
The XLogP value of -0.06808 indicates that 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.95 Ų, 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium 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-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide?
The CAS number of 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide is 5313-81-5.
What is the molecular formula of 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide?
The molecular formula of 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide is C14H13Br2NO.
What is the molecular weight of 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide?
The molecular weight of 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide is 368.94 g/mol.
Where can I buy 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide?
You can request a quote for 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium 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-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(4-Bromophenyl)-2-oxoethyl]-3-methylpyridinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.