Benzonitrile, 4-((4-aminophenyl)ethynyl)-
TL;DR: Benzonitrile, 4-((4-aminophenyl)ethynyl)- (CAS 119984-85-9) is a chemical compound with molecular formula C15H10N2 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-aminophenyl)ethynyl]benzonitrile
Also Known As: 4-[(4-aminophenyl)ethynyl]benzonitrile, benzonitrile, 4-[(4-aminophenyl)ethynyl]-, 4-(4-Aminophenylethynyl)benzonitrile, 4-[2-(4-aminophenyl)ethynyl]benzonitrile, 4-((4-aminophenyl)ethynyl)benzonitrile
| Molecular Formula | C15H10N2 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0844 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 119984-85-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#CC2=CC=C(C=C2)N)C#N |
| InChIKey | BGGCWCKETKXSFP-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-((4-aminophenyl)ethynyl)- (CAS 119984-85-9), with molecular formula C15H10N2 and molecular weight 218.08 g/mol. IUPAC: 4-[2-(4-aminophenyl)ethynyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-((4-aminophenyl)ethynyl)-
Property Insights of Benzonitrile, 4-((4-aminophenyl)ethynyl)-
The XLogP value of 3.0 indicates that Benzonitrile, 4-((4-aminophenyl)ethynyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Benzonitrile, 4-((4-aminophenyl)ethynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-((4-aminophenyl)ethynyl)- has 1 hydrogen bond donor(s) and 2 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 Benzonitrile, 4-((4-aminophenyl)ethynyl)-?
The CAS number of Benzonitrile, 4-((4-aminophenyl)ethynyl)- is 119984-85-9.
What is the molecular formula of Benzonitrile, 4-((4-aminophenyl)ethynyl)-?
The molecular formula of Benzonitrile, 4-((4-aminophenyl)ethynyl)- is C15H10N2.
What is the molecular weight of Benzonitrile, 4-((4-aminophenyl)ethynyl)-?
The molecular weight of Benzonitrile, 4-((4-aminophenyl)ethynyl)- is 218.08 g/mol.
Where can I buy Benzonitrile, 4-((4-aminophenyl)ethynyl)-?
You can request a quote for Benzonitrile, 4-((4-aminophenyl)ethynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-((4-aminophenyl)ethynyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-((4-aminophenyl)ethynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.