二(4-吡啶基)丁二炔
TL;DR: 二(4-吡啶基)丁二炔 (CAS 91508-53-1) is a chemical compound with molecular formula C14H8N2 and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二(4-吡啶基)丁二炔
4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine
Also Known As: 4,4'-dipyridylbutadiyne, pyridine, 4,4'-(1,3-butadiyne-1,4-diyl)bis-, 1,4-bis(4-pyridyl)butadiyne, 1,4-Di(pyridin-4-yl)buta-1,3-diyne, 1,4-bis-4-pyridylbutadiyne
| Molecular Formula | C14H8N2 |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.06874 |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 91508-53-1 |
|---|---|
| SMILES | C1=CN=CC=C1C#CC#CC2=CC=NC=C2 |
| InChIKey | BKRBETINLDNENR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二(4-吡啶基)丁二炔 (CAS 91508-53-1), with molecular formula C14H8N2 and molecular weight 204.07 g/mol. IUPAC: 4-(4-pyridin-4-ylbuta-1,3-diynyl)pyridine.
Chemical Property Profile of 二(4-吡啶基)丁二炔
Property Insights of 二(4-吡啶基)丁二炔
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二(4-吡啶基)丁二炔. With a topological polar surface area (TPSA) of 25.8 Ų, 二(4-吡啶基)丁二炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二(4-吡啶基)丁二炔 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)丁二炔?
The CAS number of 二(4-吡啶基)丁二炔 is 91508-53-1.
What is the molecular formula of 二(4-吡啶基)丁二炔?
The molecular formula of 二(4-吡啶基)丁二炔 is C14H8N2.
What is the molecular weight of 二(4-吡啶基)丁二炔?
The molecular weight of 二(4-吡啶基)丁二炔 is 204.07 g/mol.
Where can I buy 二(4-吡啶基)丁二炔?
You can request a quote for 二(4-吡啶基)丁二炔 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)丁二炔?
Yes, KEHONG BIO provides custom synthesis services for 二(4-吡啶基)丁二炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.