Cetirizine Hydrochloride
TL;DR: Cetirizine Hydrochloride (CAS 83881-52-1) is a chemical compound with molecular formula C21H27Cl3N2O3 and molecular weight 460.10873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride
Also Known As: Cetirizine dihydrochloride, CETIRIZINE HYDROCHLORIDE, Zyrtec, Reactine, Cetrine
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H27Cl3N2O3 |
| Molecular Weight | 460.10873 g/mol |
| XLogP | 3.99 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.10873 Da |
| Heavy Atoms | 29 |
| Complexity | 443.0 |
| SMILES | C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl |
| InChIKey | PGLIUCLTXOYQMV-UHFFFAOYSA-N |
Chemical Property Profile of Cetirizine Hydrochloride
Property Insights of Cetirizine Hydrochloride
The XLogP value of 3.99 indicates that Cetirizine Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, Cetirizine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cetirizine Hydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cetirizine Hydrochloride?
The CAS number of Cetirizine Hydrochloride is 83881-52-1.
What is the molecular formula of Cetirizine Hydrochloride?
The molecular formula of Cetirizine Hydrochloride is C21H27Cl3N2O3.
What is the molecular weight of Cetirizine Hydrochloride?
The molecular weight of Cetirizine Hydrochloride is 460.10873 g/mol.
Where can I buy Cetirizine Hydrochloride?
You can request a quote for Cetirizine Hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cetirizine Hydrochloride?
Yes, CoreyChem provides custom synthesis services for Cetirizine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.