2,4,5-Trimethylimidazole
TL;DR: 2,4,5-Trimethylimidazole (CAS 822-90-2) is a chemical compound with molecular formula C6H10N2 and molecular weight 110.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-trimethyl-1H-imidazole
Also Known As: 2,4,5-Trimethyl-1H-imidazole, 2,4,5-Trimethylimidazole, 1H-Imidazole,2,4,5-trimethyl-, 2,4,5-trimethylimidazol, 1H-Imidazole, 2,4,5-trimethyl-
| Molecular Formula | C6H10N2 |
|---|---|
| Molecular Weight | 110.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.0844 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 822-90-2 |
|---|---|
| SMILES | CC1=C(N=C(N1)C)C |
| InChIKey | PTBPTNCGZUOCBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trimethylimidazole (CAS 822-90-2), with molecular formula C6H10N2 and molecular weight 110.08 g/mol. IUPAC: 2,4,5-trimethyl-1H-imidazole.
Chemical Property Profile of 2,4,5-Trimethylimidazole
Property Insights of 2,4,5-Trimethylimidazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trimethylimidazole. With a topological polar surface area (TPSA) of 28.7 Ų, 2,4,5-Trimethylimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trimethylimidazole 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 2,4,5-Trimethylimidazole?
The CAS number of 2,4,5-Trimethylimidazole is 822-90-2.
What is the molecular formula of 2,4,5-Trimethylimidazole?
The molecular formula of 2,4,5-Trimethylimidazole is C6H10N2.
What is the molecular weight of 2,4,5-Trimethylimidazole?
The molecular weight of 2,4,5-Trimethylimidazole is 110.08 g/mol.
Where can I buy 2,4,5-Trimethylimidazole?
You can request a quote for 2,4,5-Trimethylimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trimethylimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trimethylimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.