1-allyl-1H-imidazole
TL;DR: 1-allyl-1H-imidazole (CAS 31410-01-2) is a chemical compound with molecular formula C6H8N2 and molecular weight 108.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enylimidazole
Also Known As: 1-Allylimidazole, 1-Allyl-1H-imidazole, 1-prop-2-enylimidazole, N-Allylimidazole, Imidazole,1-allyl
| Molecular Formula | C6H8N2 |
|---|---|
| Molecular Weight | 108.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.06875 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 31410-01-2 |
|---|---|
| SMILES | C=CCN1C=CN=C1 |
| InChIKey | XLXCHZCQTCBUOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-allyl-1H-imidazole (CAS 31410-01-2), with molecular formula C6H8N2 and molecular weight 108.07 g/mol. IUPAC: 1-prop-2-enylimidazole.
Chemical Property Profile of 1-allyl-1H-imidazole
Property Insights of 1-allyl-1H-imidazole
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-allyl-1H-imidazole. With a topological polar surface area (TPSA) of 17.8 Ų, 1-allyl-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-allyl-1H-imidazole has 0 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 1-allyl-1H-imidazole?
The CAS number of 1-allyl-1H-imidazole is 31410-01-2.
What is the molecular formula of 1-allyl-1H-imidazole?
The molecular formula of 1-allyl-1H-imidazole is C6H8N2.
What is the molecular weight of 1-allyl-1H-imidazole?
The molecular weight of 1-allyl-1H-imidazole is 108.07 g/mol.
Where can I buy 1-allyl-1H-imidazole?
You can request a quote for 1-allyl-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-allyl-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.