1H-Imidazole, 5-(2-phenylethynyl)-
TL;DR: 1H-Imidazole, 5-(2-phenylethynyl)- (CAS 436804-94-3) is a chemical compound with molecular formula C11H8N2 and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-phenylethynyl)-1H-imidazole
Also Known As: 1H-Imidazole,4- -, 1H-Imidazole, 5-(2-phenylethynyl)-, 5-(2-phenylethynyl)-1H-imidazole, 4-Phenylethynyl-1H-imidazole, 4-(2-phenylethynyl)-3H-imidazole
| Molecular Formula | C11H8N2 |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 1.8095 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.06874 |
| Heavy Atoms | 13 |
| Complexity | 418.1139 |
Chemical Identifiers
| CAS Number | 436804-94-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CN=CN2 |
Product Overview
1H-Imidazole, 5-(2-phenylethynyl)- (CAS 436804-94-3), with molecular formula C11H8N2 and molecular weight 168.07 g/mol. IUPAC: 5-(2-phenylethynyl)-1H-imidazole.
Chemical Property Profile of 1H-Imidazole, 5-(2-phenylethynyl)-
Property Insights of 1H-Imidazole, 5-(2-phenylethynyl)-
The XLogP value of 1.8095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole, 5-(2-phenylethynyl)-. With a topological polar surface area (TPSA) of 28.68 Ų, 1H-Imidazole, 5-(2-phenylethynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole, 5-(2-phenylethynyl)- 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 1H-Imidazole, 5-(2-phenylethynyl)-?
The CAS number of 1H-Imidazole, 5-(2-phenylethynyl)- is 436804-94-3.
What is the molecular formula of 1H-Imidazole, 5-(2-phenylethynyl)-?
The molecular formula of 1H-Imidazole, 5-(2-phenylethynyl)- is C11H8N2.
What is the molecular weight of 1H-Imidazole, 5-(2-phenylethynyl)-?
The molecular weight of 1H-Imidazole, 5-(2-phenylethynyl)- is 168.07 g/mol.
Where can I buy 1H-Imidazole, 5-(2-phenylethynyl)-?
You can request a quote for 1H-Imidazole, 5-(2-phenylethynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole, 5-(2-phenylethynyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 5-(2-phenylethynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.