![5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile structure](/static/products/3526/352677-77-1.webp)
5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile
TL;DR: 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile (CAS 352677-77-1) is a chemical compound with molecular formula C24H19BrN2O2S and molecular weight 478.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile
Also Known As: 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile, 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]nicotinonitrile, 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-(2-oxo-2-phenylethylthio)pyrid ine-3-carbonitrile, 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile
| Molecular Formula | C24H19BrN2O2S |
|---|---|
| Molecular Weight | 478.04 g/mol |
| LogP | 5.73302 |
| Topological Polar Surface Area | 70.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.03506 |
| Heavy Atoms | 30 |
| Complexity | 1136.6078 |
Chemical Identifiers
| CAS Number | 352677-77-1 |
|---|---|
| SMILES | CC1=C(C(=NC(=C1C#N)SCC(=O)C2=CC=CC=C2)C)CC(=O)C3=CC=C(C=C3)Br |
Product Overview
5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile (CAS 352677-77-1), with molecular formula C24H19BrN2O2S and molecular weight 478.04 g/mol. IUPAC: 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile
Property Insights of 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile
The XLogP value of 5.73302 indicates that 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile. Following Lipinski's Rule of Five, 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile?
The CAS number of 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile is 352677-77-1.
What is the molecular formula of 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile?
The molecular formula of 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile is C24H19BrN2O2S.
What is the molecular weight of 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile?
The molecular weight of 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile is 478.04 g/mol.
Where can I buy 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile?
You can request a quote for 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-phenacylsulfanylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.