4,5-Dichloro-2-isopropyl-1H-imidazole
TL;DR: 4,5-Dichloro-2-isopropyl-1H-imidazole (CAS 959244-79-2) is a chemical compound with molecular formula C6H8Cl2N2 and molecular weight 178.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-2-propan-2-yl-1H-imidazole
Also Known As: 4,5-Dichloro-2-isopropyl-1H-imidazole, Imidazole, 4,5-dichloro-2-isopropyl-, 1H-Imidazole,4,5-dichloro-2- -, 4,5-Dichloro-2-isopropyl-1H-imidazole #, 4,5-dichloro-2-propan-2-yl-1H-imidazole
| Molecular Formula | C6H8Cl2N2 |
|---|---|
| Molecular Weight | 178.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.00645 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 959244-79-2 |
|---|---|
| SMILES | CC(C)C1=NC(=C(N1)Cl)Cl |
| InChIKey | BLTWATTXUZKZPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dichloro-2-isopropyl-1H-imidazole (CAS 959244-79-2), with molecular formula C6H8Cl2N2 and molecular weight 178.01 g/mol. IUPAC: 4,5-dichloro-2-propan-2-yl-1H-imidazole.
Chemical Property Profile of 4,5-Dichloro-2-isopropyl-1H-imidazole
Property Insights of 4,5-Dichloro-2-isopropyl-1H-imidazole
The XLogP value of 3.1 indicates that 4,5-Dichloro-2-isopropyl-1H-imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, 4,5-Dichloro-2-isopropyl-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dichloro-2-isopropyl-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 4,5-Dichloro-2-isopropyl-1H-imidazole?
The CAS number of 4,5-Dichloro-2-isopropyl-1H-imidazole is 959244-79-2.
What is the molecular formula of 4,5-Dichloro-2-isopropyl-1H-imidazole?
The molecular formula of 4,5-Dichloro-2-isopropyl-1H-imidazole is C6H8Cl2N2.
What is the molecular weight of 4,5-Dichloro-2-isopropyl-1H-imidazole?
The molecular weight of 4,5-Dichloro-2-isopropyl-1H-imidazole is 178.01 g/mol.
Where can I buy 4,5-Dichloro-2-isopropyl-1H-imidazole?
You can request a quote for 4,5-Dichloro-2-isopropyl-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichloro-2-isopropyl-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichloro-2-isopropyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.