克立咪唑
TL;DR: 克立咪唑 (CAS 442-52-4) is a chemical compound with molecular formula C19H20ClN3 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
克立咪唑
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
Also Known As: Clemizole, Histacur, Clemizol, Histakool, Clemizolum
| Molecular Formula | C19H20ClN3 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 21.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.13458 |
| Heavy Atoms | 23 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 442-52-4 |
|---|---|
| SMILES | C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl |
| InChIKey | CJXAEXPPLWQRFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
克立咪唑 (CAS 442-52-4), with molecular formula C19H20ClN3 and molecular weight 325.13 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole.
Chemical Property Profile of 克立咪唑
Property Insights of 克立咪唑
The XLogP value of 4.0 indicates that 克立咪唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.1 Ų, 克立咪唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 克立咪唑 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
Frequently Asked Questions
What is the CAS number of 克立咪唑?
The CAS number of 克立咪唑 is 442-52-4.
What is the molecular formula of 克立咪唑?
The molecular formula of 克立咪唑 is C19H20ClN3.
What is the molecular weight of 克立咪唑?
The molecular weight of 克立咪唑 is 325.13 g/mol.
Where can I buy 克立咪唑?
You can request a quote for 克立咪唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 克立咪唑?
Yes, KEHONG BIO provides custom synthesis services for 克立咪唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.