2-(2-Phenylethynyl)aniline
TL;DR: 2-(2-Phenylethynyl)aniline (CAS 13141-38-3) is a chemical compound with molecular formula C14H11N and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylethynyl)aniline
Also Known As: 2-(phenylethynyl)aniline, 2-(2-phenylethynyl)aniline, 2-Phenylethynyl-phenylamine, 2-phenylethynylaniline, o-Phenylethynylaniline
| Molecular Formula | C14H11N |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 2.6686 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.08914 |
| Heavy Atoms | 15 |
| Complexity | 503.60706 |
Chemical Identifiers
| CAS Number | 13141-38-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CC=CC=C2N |
Product Overview
2-(2-Phenylethynyl)aniline (CAS 13141-38-3), with molecular formula C14H11N and molecular weight 193.09 g/mol. IUPAC: 2-(2-phenylethynyl)aniline.
Chemical Property Profile of 2-(2-Phenylethynyl)aniline
Property Insights of 2-(2-Phenylethynyl)aniline
The XLogP value of 2.6686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Phenylethynyl)aniline. With a topological polar surface area (TPSA) of 26.02 Ų, 2-(2-Phenylethynyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Phenylethynyl)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
Frequently Asked Questions
What is the CAS number of 2-(2-Phenylethynyl)aniline?
The CAS number of 2-(2-Phenylethynyl)aniline is 13141-38-3.
What is the molecular formula of 2-(2-Phenylethynyl)aniline?
The molecular formula of 2-(2-Phenylethynyl)aniline is C14H11N.
What is the molecular weight of 2-(2-Phenylethynyl)aniline?
The molecular weight of 2-(2-Phenylethynyl)aniline is 193.09 g/mol.
Where can I buy 2-(2-Phenylethynyl)aniline?
You can request a quote for 2-(2-Phenylethynyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Phenylethynyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Phenylethynyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.