2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile
TL;DR: 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile (CAS 369607-58-9) is a chemical compound with molecular formula C19H13BrN2O2S and molecular weight 411.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-6-methylpyridine-3-carbonitrile
Also Known As: 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile, 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-(2-furyl)-6-methyl-pyridine-3-carbonitrile, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-6-methylpyridine-3-carbonitrile, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-6-methylpyridine-3-carbonitrile
| Molecular Formula | C19H13BrN2O2S |
|---|---|
| Molecular Weight | 411.99 g/mol |
| LogP | 5.2592 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.9881 |
| Heavy Atoms | 25 |
| Complexity | 944.8006 |
Chemical Identifiers
| CAS Number | 369607-58-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)C2=CC=C(C=C2)Br)C#N)C3=CC=CO3 |
Product Overview
2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile (CAS 369607-58-9), with molecular formula C19H13BrN2O2S and molecular weight 411.99 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-6-methylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile
Property Insights of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile
The XLogP value of 5.2592 indicates that 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile. Following Lipinski's Rule of Five, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile 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 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile?
The CAS number of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile is 369607-58-9.
What is the molecular formula of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile?
The molecular formula of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile is C19H13BrN2O2S.
What is the molecular weight of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile?
The molecular weight of 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile is 411.99 g/mol.
Where can I buy 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile?
You can request a quote for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-6-methylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.