![2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile structure](/static/products/489/489441-61-4.png)
2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile
TL;DR: 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile (CAS 489441-61-4) is a chemical compound with molecular formula C18H12FN3OS and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile
Also Known As: 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile, {[(4-fluorophenyl)amino][(2-oxo-2-phenylethyl)sulfanyl]methylidene}propanedinitrile, 2-(((4-fluorophenyl)amino)((2-oxo-2-phenylethyl)thio)methylene)malononitrile
| Molecular Formula | C18H12FN3OS |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 4.11246 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.0685 |
| Heavy Atoms | 24 |
| Complexity | 817.30786 |
Chemical Identifiers
| CAS Number | 489441-61-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC(=C(C#N)C#N)NC2=CC=C(C=C2)F |
Product Overview
2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile (CAS 489441-61-4), with molecular formula C18H12FN3OS and molecular weight 337.07 g/mol. IUPAC: 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile.
Chemical Property Profile of 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile
Property Insights of 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile
The XLogP value of 4.11246 indicates that 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile has 1 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-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile?
The CAS number of 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile is 489441-61-4.
What is the molecular formula of 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile?
The molecular formula of 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile is C18H12FN3OS.
What is the molecular weight of 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile?
The molecular weight of 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile is 337.07 g/mol.
Where can I buy 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile?
You can request a quote for 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-fluoroanilino)-phenacylsulfanylmethylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.