![5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile structure](/static/products/3271/327166-71-2.webp)
5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile
TL;DR: 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile (CAS 327166-71-2) is a chemical compound with molecular formula C17H13BrN2O2S and molecular weight 387.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile
Also Known As: 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile, AM-807/13059797, 5-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-methylnicotinonitrile, 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethylthio]-6-methylpyridine-3-carbonitrile, 5-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-methylpyridine-3-carbonitrile
| Molecular Formula | C17H13BrN2O2S |
|---|---|
| Molecular Weight | 387.99 g/mol |
| LogP | 4.2018 |
| Topological Polar Surface Area | 70.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.9881 |
| Heavy Atoms | 23 |
| Complexity | 810.5784 |
Chemical Identifiers
| CAS Number | 327166-71-2 |
|---|---|
| SMILES | CC1=C(C=C(C(=N1)SCC(=O)C2=CC=C(C=C2)Br)C#N)C(=O)C |
Product Overview
5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile (CAS 327166-71-2), with molecular formula C17H13BrN2O2S and molecular weight 387.99 g/mol. IUPAC: 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile.
Chemical Property Profile of 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile
Property Insights of 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile
The XLogP value of 4.2018 indicates that 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-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-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile. Following Lipinski's Rule of Five, 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile has 0 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 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile?
The CAS number of 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile is 327166-71-2.
What is the molecular formula of 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile?
The molecular formula of 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile is C17H13BrN2O2S.
What is the molecular weight of 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile?
The molecular weight of 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile is 387.99 g/mol.
Where can I buy 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile?
You can request a quote for 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-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-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.