6-tert-Butyl-2-ethyl-1H-benzimidazole
TL;DR: 6-tert-Butyl-2-ethyl-1H-benzimidazole (CAS 5805-63-0) is a chemical compound with molecular formula C13H18N2 and molecular weight 202.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-ethyl-1H-benzimidazole
Also Known As: Benzimidazole, 5-tert-butyl-2-ethyl-, 5-tert-Butyl-2-ethyl-1H-benzimidazole, 6-tert-Butyl-2-ethyl-1H-benzimidazole, 6-(tert-Butyl)-2-ethylbenzimidazole, 6-tert-Butyl-2-ethyl-1H-benzimidazole #
| Molecular Formula | C13H18N2 |
|---|---|
| Molecular Weight | 202.15 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.147 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 5805-63-0 |
|---|---|
| SMILES | CCC1=NC2=C(N1)C=C(C=C2)C(C)(C)C |
| InChIKey | CLKWONXWXDWMSJ-UHFFFAOYSA-N |
Product Overview
6-tert-Butyl-2-ethyl-1H-benzimidazole (CAS 5805-63-0), with molecular formula C13H18N2 and molecular weight 202.15 g/mol. IUPAC: 6-tert-butyl-2-ethyl-1H-benzimidazole.
Chemical Property Profile of 6-tert-Butyl-2-ethyl-1H-benzimidazole
Property Insights of 6-tert-Butyl-2-ethyl-1H-benzimidazole
The XLogP value of 4.0 indicates that 6-tert-Butyl-2-ethyl-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, 6-tert-Butyl-2-ethyl-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-Butyl-2-ethyl-1H-benzimidazole 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 6-tert-Butyl-2-ethyl-1H-benzimidazole?
The CAS number of 6-tert-Butyl-2-ethyl-1H-benzimidazole is 5805-63-0.
What is the molecular formula of 6-tert-Butyl-2-ethyl-1H-benzimidazole?
The molecular formula of 6-tert-Butyl-2-ethyl-1H-benzimidazole is C13H18N2.
What is the molecular weight of 6-tert-Butyl-2-ethyl-1H-benzimidazole?
The molecular weight of 6-tert-Butyl-2-ethyl-1H-benzimidazole is 202.15 g/mol.
Where can I buy 6-tert-Butyl-2-ethyl-1H-benzimidazole?
You can request a quote for 6-tert-Butyl-2-ethyl-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-2-ethyl-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-2-ethyl-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.