1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide
TL;DR: 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide (CAS 6276-14-8) is a chemical compound with molecular formula C13H9Br3ClNO and molecular weight 466.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide
Also Known As: BIM-0021076.P001, 1-(4-chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide, 1-(4-chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone;bromide, 3,5-dibromo-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridinium, 3,5-dibromo-1-[2-(4-chlorophenyl)-2-oxoethyl]pyridinium bromide
| Molecular Formula | C13H9Br3ClNO |
|---|---|
| Molecular Weight | 466.79 g/mol |
| LogP | 1.0394 |
| Topological Polar Surface Area | 20.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.79227 |
| Heavy Atoms | 19 |
| Complexity | 566.69226 |
Chemical Identifiers
| CAS Number | 6276-14-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C[N+]2=CC(=CC(=C2)Br)Br)Cl.[Br-] |
Product Overview
1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide (CAS 6276-14-8), with molecular formula C13H9Br3ClNO and molecular weight 466.79 g/mol. IUPAC: 1-(4-chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide.
Chemical Property Profile of 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide
Property Insights of 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide
The XLogP value of 1.0394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide. With a topological polar surface area (TPSA) of 20.95 Ų, 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone 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-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide?
The CAS number of 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide is 6276-14-8.
What is the molecular formula of 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide?
The molecular formula of 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide is C13H9Br3ClNO.
What is the molecular weight of 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide?
The molecular weight of 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide is 466.79 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide?
You can request a quote for 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2-(3,5-dibromopyridin-1-ium-1-yl)ethanone bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.