![2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile structure](/static/products/6499/64995-37-5.webp)
2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile
TL;DR: 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile (CAS 64995-37-5) is a chemical compound with molecular formula C19H15N3OS and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-methylsulfanyl-2-(1-phenacyl-4-pyridinylidene)ethylidene]propanedinitrile
Also Known As: 2-[1-methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile, 2-[1-methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethyliden, {1-(Methylsulfanyl)-2-[1-(2-oxo-2-phenylethyl)pyridin-4(1H)-ylidene]ethylidene}propanedinitrile
| Molecular Formula | C19H15N3OS |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.0936 |
| Heavy Atoms | 24 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 64995-37-5 |
|---|---|
| SMILES | CSC(=C(C#N)C#N)C=C1C=CN(C=C1)CC(=O)C2=CC=CC=C2 |
| InChIKey | HDROVNOBCNNQMA-UHFFFAOYSA-N |
Product Overview
2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile (CAS 64995-37-5), with molecular formula C19H15N3OS and molecular weight 333.09 g/mol. IUPAC: 2-[1-methylsulfanyl-2-(1-phenacyl-4-pyridinylidene)ethylidene]propanedinitrile.
Chemical Property Profile of 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile
Property Insights of 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile
The XLogP value of 3.1 indicates that 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile 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 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile?
The CAS number of 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile is 64995-37-5.
What is the molecular formula of 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile?
The molecular formula of 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile is C19H15N3OS.
What is the molecular weight of 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile?
The molecular weight of 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile is 333.09 g/mol.
Where can I buy 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile?
You can request a quote for 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-Methylsulfanyl-2-(1-phenacylpyridin-4-ylidene)ethylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.