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5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile
TL;DR: 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile (CAS 337922-74-4) is a chemical compound with molecular formula C16H12Cl2N2OS and molecular weight 350.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile
Also Known As: Bionet1_002045, 10K-405S, 5-acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile, 5-acetyl-2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile, 5-acetyl-2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-6-methylpyridine-3-carbonitrile
| Molecular Formula | C16H12Cl2N2OS |
|---|---|
| Molecular Weight | 350.00 g/mol |
| LogP | 5.0634 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.00473 |
| Heavy Atoms | 22 |
| Complexity | 784.44574 |
Chemical Identifiers
| CAS Number | 337922-74-4 |
|---|---|
| SMILES | CC1=C(C=C(C(=N1)SCC2=C(C=C(C=C2)Cl)Cl)C#N)C(=O)C |
Product Overview
5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile (CAS 337922-74-4), with molecular formula C16H12Cl2N2OS and molecular weight 350.00 g/mol. IUPAC: 5-acetyl-2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile.
Chemical Property Profile of 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile
Property Insights of 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile
The XLogP value of 5.0634 indicates that 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile?
The CAS number of 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile is 337922-74-4.
What is the molecular formula of 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile?
The molecular formula of 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile is C16H12Cl2N2OS.
What is the molecular weight of 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile?
The molecular weight of 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile is 350.00 g/mol.
Where can I buy 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile?
You can request a quote for 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile 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-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-[(2,4-dichlorobenzyl)sulfanyl]-6-methylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.