5-oct-3-ynyl-1H-imidazole
TL;DR: 5-oct-3-ynyl-1H-imidazole (CAS 314065-37-7) is a chemical compound with molecular formula C11H16N2 and molecular weight 176.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oct-3-ynyl-1H-imidazole
Also Known As: 4-oct-3-ynyl-3H-imidazole, 1H-Imidazole, 4-(3-octynyl)- (9CI)
| Molecular Formula | C11H16N2 |
|---|---|
| Molecular Weight | 176.13 g/mol |
| LogP | 2.5359 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.13135 |
| Heavy Atoms | 13 |
| Complexity | 264.02554 |
Chemical Identifiers
| CAS Number | 314065-37-7 |
|---|---|
| SMILES | CCCCC#CCCC1=CN=CN1 |
Product Overview
5-oct-3-ynyl-1H-imidazole (CAS 314065-37-7), with molecular formula C11H16N2 and molecular weight 176.13 g/mol. IUPAC: 5-oct-3-ynyl-1H-imidazole.
Chemical Property Profile of 5-oct-3-ynyl-1H-imidazole
Property Insights of 5-oct-3-ynyl-1H-imidazole
The XLogP value of 2.5359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-oct-3-ynyl-1H-imidazole. With a topological polar surface area (TPSA) of 28.68 Ų, 5-oct-3-ynyl-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-oct-3-ynyl-1H-imidazole 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 5-oct-3-ynyl-1H-imidazole?
The CAS number of 5-oct-3-ynyl-1H-imidazole is 314065-37-7.
What is the molecular formula of 5-oct-3-ynyl-1H-imidazole?
The molecular formula of 5-oct-3-ynyl-1H-imidazole is C11H16N2.
What is the molecular weight of 5-oct-3-ynyl-1H-imidazole?
The molecular weight of 5-oct-3-ynyl-1H-imidazole is 176.13 g/mol.
Where can I buy 5-oct-3-ynyl-1H-imidazole?
You can request a quote for 5-oct-3-ynyl-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-oct-3-ynyl-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-oct-3-ynyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.