2-((4-Bromophenyl)ethynyl)aniline
TL;DR: 2-((4-Bromophenyl)ethynyl)aniline (CAS 157869-13-1) is a chemical compound with molecular formula C14H10BrN and molecular weight 270.99966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-bromophenyl)ethynyl]aniline
Also Known As: 2-((4-bromophenyl)ethynyl)aniline, 2-[2-(4-bromophenyl)ethynyl]aniline, 2-[(4-bromophenyl)ethynyl]aniline, 2-(2-(4-bromophenyl)ethynyl)benzenamine, 1-(2-Aminophenyl)-2-(4-bromophenyl)acetylene
Technical Specifications
| Molecular Formula | C14H10BrN |
| Molecular Weight | 270.99966 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.99966 Da |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
| SMILES | C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)Br)N |
| InChIKey | RKODGCYAOJWIES-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-Bromophenyl)ethynyl)aniline
Property Insights of 2-((4-Bromophenyl)ethynyl)aniline
The XLogP value of 4.0 indicates that 2-((4-Bromophenyl)ethynyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 2-((4-Bromophenyl)ethynyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Bromophenyl)ethynyl)aniline has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((4-Bromophenyl)ethynyl)aniline?
The CAS number of 2-((4-Bromophenyl)ethynyl)aniline is 157869-13-1.
What is the molecular formula of 2-((4-Bromophenyl)ethynyl)aniline?
The molecular formula of 2-((4-Bromophenyl)ethynyl)aniline is C14H10BrN.
What is the molecular weight of 2-((4-Bromophenyl)ethynyl)aniline?
The molecular weight of 2-((4-Bromophenyl)ethynyl)aniline is 270.99966 g/mol.
Where can I buy 2-((4-Bromophenyl)ethynyl)aniline?
You can request a quote for 2-((4-Bromophenyl)ethynyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-Bromophenyl)ethynyl)aniline?
Yes, CoreyChem provides custom synthesis services for 2-((4-Bromophenyl)ethynyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.