![2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile structure](/static/products/3133/313379-69-0.webp)
2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile
TL;DR: 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile (CAS 313379-69-0) is a chemical compound with molecular formula C16H13BrN2OS and molecular weight 359.99 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-4,6-dimethylpyridine-3-carbonitrile
Also Known As: ChemDiv1_002287, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylnicotinonitrile, AE-848/33766034, 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
| Molecular Formula | C16H13BrN2OS |
|---|---|
| Molecular Weight | 359.99 g/mol |
| LogP | 4.30762 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.9932 |
| Heavy Atoms | 21 |
| Complexity | 720.29224 |
Chemical Identifiers
| CAS Number | 313379-69-0 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)Br)C |
Product Overview
2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile (CAS 313379-69-0), with molecular formula C16H13BrN2OS and molecular weight 359.99 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile
Property Insights of 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile
The XLogP value of 4.30762 indicates that 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile has 0 hydrogen bond donor(s) and 4 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 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile?
The CAS number of 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile is 313379-69-0.
What is the molecular formula of 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile?
The molecular formula of 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile is C16H13BrN2OS.
What is the molecular weight of 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile?
The molecular weight of 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile is 359.99 g/mol.
Where can I buy 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile?
You can request a quote for 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile 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]-4,6-dimethyl-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(4-Bromophenyl)-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.