4,5-Dichloro-1-methylimidazole
TL;DR: 4,5-Dichloro-1-methylimidazole (CAS 1192-53-6) is a chemical compound with molecular formula C4H4Cl2N2 and molecular weight 149.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-1-methylimidazole
Also Known As: 4,5-dichloro-1-methylimidazole, 4,5-Dichloro-1-methyl-1H-imidazole, Azathioprine Impurity 12, 1H-Imidazole, 4,5-dichloro-1-methyl-, 4,5-dichloro-1-methyl-imidazole
| Molecular Formula | C4H4Cl2N2 |
|---|---|
| Molecular Weight | 149.98 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.97516 |
| Heavy Atoms | 8 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 1192-53-6 |
|---|---|
| SMILES | CN1C=NC(=C1Cl)Cl |
| InChIKey | VVYQLPWYFQBZOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dichloro-1-methylimidazole (CAS 1192-53-6), with molecular formula C4H4Cl2N2 and molecular weight 149.98 g/mol. IUPAC: 4,5-dichloro-1-methylimidazole.
Chemical Property Profile of 4,5-Dichloro-1-methylimidazole
Property Insights of 4,5-Dichloro-1-methylimidazole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dichloro-1-methylimidazole. With a topological polar surface area (TPSA) of 17.8 Ų, 4,5-Dichloro-1-methylimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dichloro-1-methylimidazole 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 4,5-Dichloro-1-methylimidazole?
The CAS number of 4,5-Dichloro-1-methylimidazole is 1192-53-6.
What is the molecular formula of 4,5-Dichloro-1-methylimidazole?
The molecular formula of 4,5-Dichloro-1-methylimidazole is C4H4Cl2N2.
What is the molecular weight of 4,5-Dichloro-1-methylimidazole?
The molecular weight of 4,5-Dichloro-1-methylimidazole is 149.98 g/mol.
Where can I buy 4,5-Dichloro-1-methylimidazole?
You can request a quote for 4,5-Dichloro-1-methylimidazole 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-1-methylimidazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichloro-1-methylimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.