二(4-吡啶基)乙炔
TL;DR: 二(4-吡啶基)乙炔 (CAS 73564-69-9) is a chemical compound with molecular formula C12H8N2 and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二(4-吡啶基)乙炔
4-(2-pyridin-4-ylethynyl)pyridine
Also Known As: 1,2-Di(pyridin-4-yl)ethyne, bpac, 4-(2-pyridin-4-ylethynyl)pyridine, Di(4-pyridyl)ethyne, bis(4-pyridyl)acetylene
| Molecular Formula | C12H8N2 |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.06874 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 73564-69-9 |
|---|---|
| SMILES | C1=CN=CC=C1C#CC2=CC=NC=C2 |
| InChIKey | SPKCEACOZLCRSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二(4-吡啶基)乙炔 (CAS 73564-69-9), with molecular formula C12H8N2 and molecular weight 180.07 g/mol. IUPAC: 4-(2-pyridin-4-ylethynyl)pyridine.
Chemical Property Profile of 二(4-吡啶基)乙炔
Property Insights of 二(4-吡啶基)乙炔
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二(4-吡啶基)乙炔. With a topological polar surface area (TPSA) of 25.8 Ų, 二(4-吡啶基)乙炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二(4-吡啶基)乙炔 has 0 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 二(4-吡啶基)乙炔?
The CAS number of 二(4-吡啶基)乙炔 is 73564-69-9.
What is the molecular formula of 二(4-吡啶基)乙炔?
The molecular formula of 二(4-吡啶基)乙炔 is C12H8N2.
What is the molecular weight of 二(4-吡啶基)乙炔?
The molecular weight of 二(4-吡啶基)乙炔 is 180.07 g/mol.
Where can I buy 二(4-吡啶基)乙炔?
You can request a quote for 二(4-吡啶基)乙炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二(4-吡啶基)乙炔?
Yes, KEHONG BIO provides custom synthesis services for 二(4-吡啶基)乙炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.