1-t-Butylimidazole
TL;DR: 1-t-Butylimidazole (CAS 45676-04-8) is a chemical compound with molecular formula C7H12N2 and molecular weight 124.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylimidazole
Also Known As: 1-tert-butylimidazole, 1-tert-Butyl-1H-imidazole, 1-t-Butylimidazole, 1-(tert-Butyl)-1H-imidazole, tert-butylimidazole
| Molecular Formula | C7H12N2 |
|---|---|
| Molecular Weight | 124.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.10005 |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 45676-04-8 |
|---|---|
| SMILES | CC(C)(C)N1C=CN=C1 |
| InChIKey | AMQKPABOPFXDQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-t-Butylimidazole (CAS 45676-04-8), with molecular formula C7H12N2 and molecular weight 124.10 g/mol. IUPAC: 1-tert-butylimidazole.
Chemical Property Profile of 1-t-Butylimidazole
Property Insights of 1-t-Butylimidazole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-t-Butylimidazole. With a topological polar surface area (TPSA) of 17.8 Ų, 1-t-Butylimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-t-Butylimidazole 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-t-Butylimidazole?
The CAS number of 1-t-Butylimidazole is 45676-04-8.
What is the molecular formula of 1-t-Butylimidazole?
The molecular formula of 1-t-Butylimidazole is C7H12N2.
What is the molecular weight of 1-t-Butylimidazole?
The molecular weight of 1-t-Butylimidazole is 124.10 g/mol.
Where can I buy 1-t-Butylimidazole?
You can request a quote for 1-t-Butylimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-t-Butylimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-t-Butylimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.