Clemizole
TL;DR: Clemizole (CAS 442-52-4) is a chemical compound with molecular formula C19H20ClN3 and molecular weight 325.13458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
Also Known As: Clemizole, Histacur, Clemizol, Histakool, Clemizolum
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H20ClN3 |
| Molecular Weight | 325.13458 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 21.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.13458 Da |
| Heavy Atoms | 23 |
| Complexity | 377.0 |
| SMILES | C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl |
| InChIKey | CJXAEXPPLWQRFR-UHFFFAOYSA-N |
Product Description
Applications: Clemizole is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Clemizole (CAS 442-52-4) is a pharmaceutical intermediate with the molecular formula C19H20ClN3 and a molecular weight of 325.13 g/mol. Synonyms include Clemizole and Histacur.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Clemizole
Property Insights of Clemizole
The XLogP value of 4.0 indicates that Clemizole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.1 Ų, Clemizole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Clemizole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Clemizole?
The CAS number of Clemizole is 442-52-4.
What is the molecular formula of Clemizole?
The molecular formula of Clemizole is C19H20ClN3.
What is the molecular weight of Clemizole?
The molecular weight of Clemizole is 325.13458 g/mol.
What are the applications of Clemizole?
Clemizole is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Clemizole?
You can request a quote for Clemizole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Clemizole?
Yes, CoreyChem provides custom synthesis services for Clemizole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.