![2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile structure](/static/products/1024/1024227-98-2.webp)
2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile
TL;DR: 2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile (CAS 1024227-98-2) is a chemical compound with molecular formula C14H13FN4 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-fluorophenyl)piperazin-1-yl]methylidene]propanedinitrile
Also Known As: 2-{[4-(2-fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile, 2-[[4-(2-fluorophenyl)piperazin-1-yl]methylidene]propanedinitrile, 2-{[4-(2-fluorophenyl)piperazino]methylene}malononitrile, 2-{4-(2-Fluorophenyl)piperazinomethylene}malononitrile, 2-[[4-(2-fluorophenyl)piperazin-1-yl]methylene]propanedinitrile
| Molecular Formula | C14H13FN4 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 1.87876 |
| Topological Polar Surface Area | 54.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.11243 |
| Heavy Atoms | 19 |
| Complexity | 543.54407 |
Chemical Identifiers
| CAS Number | 1024227-98-2 |
|---|---|
| SMILES | C1CN(CCN1C=C(C#N)C#N)C2=CC=CC=C2F |
Product Overview
2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile (CAS 1024227-98-2), with molecular formula C14H13FN4 and molecular weight 256.11 g/mol. IUPAC: 2-[[4-(2-fluorophenyl)piperazin-1-yl]methylidene]propanedinitrile.
Chemical Property Profile of 2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile
Property Insights of 2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile
The XLogP value of 1.87876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile. With a topological polar surface area (TPSA) of 54.06 Ų, 2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile 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-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile?
The CAS number of 2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile is 1024227-98-2.
What is the molecular formula of 2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile?
The molecular formula of 2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile is C14H13FN4.
What is the molecular weight of 2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile?
The molecular weight of 2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile is 256.11 g/mol.
Where can I buy 2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile?
You can request a quote for 2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}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-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(2-Fluorophenyl)piperazin-1-yl]methylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.