![1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile structure](/static/products/316/316359-03-2.png)
1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile
TL;DR: 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile (CAS 316359-03-2) is a chemical compound with molecular formula C20H13BrN2O3S2 and molecular weight 471.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
Also Known As: 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile, 1-acetyl-6-(4-bromobenzoyl)methylthio-5-cyano-2-oxo-4-(2-thienyl)-1,2-dihydropyridine, 1-acetyl-2-((2-(4-bromophenyl)-2-oxoethyl)thio)-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile, 1-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-oxo-4-thiophen-2-ylpyridine-3-carbonitrile, 1-ACETYL-2-{[2-(4-BROMOPHENYL)-2-OXOETHYL]SULFANYL}-6-OXO-4-(THIOPHEN-2-YL)PYRIDINE-3-CARBONITRILE
| Molecular Formula | C20H13BrN2O3S2 |
|---|---|
| Molecular Weight | 471.96 g/mol |
| LogP | 4.84608 |
| Topological Polar Surface Area | 79.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.9551 |
| Heavy Atoms | 28 |
| Complexity | 1143.9293 |
Chemical Identifiers
| CAS Number | 316359-03-2 |
|---|---|
| SMILES | CC(=O)N1C(=O)C=C(C(=C1SCC(=O)C2=CC=C(C=C2)Br)C#N)C3=CC=CS3 |
Product Overview
1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile (CAS 316359-03-2), with molecular formula C20H13BrN2O3S2 and molecular weight 471.96 g/mol. IUPAC: 1-acetyl-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-oxo-4-thiophen-2-ylpyridine-3-carbonitrile.
Chemical Property Profile of 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile
Property Insights of 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile
The XLogP value of 4.84608 indicates that 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 6 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-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile?
The CAS number of 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile is 316359-03-2.
What is the molecular formula of 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile?
The molecular formula of 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile is C20H13BrN2O3S2.
What is the molecular weight of 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile?
The molecular weight of 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile is 471.96 g/mol.
Where can I buy 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile?
You can request a quote for 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.