硫酸克立咪唑
TL;DR: 硫酸克立咪唑 (CAS 17162-20-8) is a chemical compound with molecular formula C19H22ClN3O4S and molecular weight 423.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸克立咪唑
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;sulfuric acid
Also Known As: CLEMIZOLE SULFATE, CLEMIZOLE SULPHATE, CLEMIZOLE BISULFATE, EINECS 241-217-2, CLEMIZOLE HYDROGEN SULPHATE
| Molecular Formula | C19H22ClN3O4S |
|---|---|
| Molecular Weight | 423.10 g/mol |
| LogP | 3.681 |
| Topological Polar Surface Area | 95.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.10196 |
| Heavy Atoms | 28 |
| Complexity | 1021.0183 |
Chemical Identifiers
| CAS Number | 17162-20-8 |
|---|---|
| SMILES | C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl.OS(=O)(=O)O |
Product Overview
硫酸克立咪唑 (CAS 17162-20-8), with molecular formula C19H22ClN3O4S and molecular weight 423.10 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;sulfuric acid.
Chemical Property Profile of 硫酸克立咪唑
Property Insights of 硫酸克立咪唑
The XLogP value of 3.681 indicates that 硫酸克立咪唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫酸克立咪唑. Following Lipinski's Rule of Five, 硫酸克立咪唑 has 2 hydrogen bond donor(s) and 4 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 硫酸克立咪唑?
The CAS number of 硫酸克立咪唑 is 17162-20-8.
What is the molecular formula of 硫酸克立咪唑?
The molecular formula of 硫酸克立咪唑 is C19H22ClN3O4S.
What is the molecular weight of 硫酸克立咪唑?
The molecular weight of 硫酸克立咪唑 is 423.10 g/mol.
Where can I buy 硫酸克立咪唑?
You can request a quote for 硫酸克立咪唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸克立咪唑?
Yes, KEHONG BIO provides custom synthesis services for 硫酸克立咪唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.