Cetirizine Impurity A
TL;DR: Cetirizine Impurity A (CAS 126517-38-2) is a chemical compound with molecular formula C19H24Cl4N2O and molecular weight 436.06427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[(2-chlorophenyl)-(3-chlorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride
Also Known As: Cetirizine Impurity A, 1-(2,3'-Dichlorobenzhydryl)-4-(2-hydroxyethyl)piperazine dihydrochloride, 1-Piperazineethanol, 4-((2-chlorophenyl)(3-chlorophenyl)methyl)-, dihydrochloride, 4-((2-Chlorophenyl)(3-chlorophenyl)methyl)-1-piperazineethanol dihydrochloride, 2-[4-[(2-chlorophenyl)-(3-chlorophenyl)methyl]piperazin-1-yl]ethanol;dihydrochloride
Technical Specifications
| Molecular Formula | C19H24Cl4N2O |
| Molecular Weight | 436.06427 g/mol |
| XLogP | 4.5363 |
| Topological Polar Surface Area (TPSA) | 26.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.06427 Da |
| Heavy Atoms | 26 |
| Complexity | 376.0 |
| SMILES | C1CN(CCN1CCO)C(C2=CC(=CC=C2)Cl)C3=CC=CC=C3Cl.Cl.Cl |
| InChIKey | FBWFJXSPMVUFSH-UHFFFAOYSA-N |
Chemical Property Profile of Cetirizine Impurity A
Property Insights of Cetirizine Impurity A
The XLogP value of 4.5363 indicates that Cetirizine Impurity A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.7 Ų, Cetirizine Impurity A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cetirizine Impurity A has 3 hydrogen bond donor(s) and 3 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 Impurity A?
The CAS number of Cetirizine Impurity A is 126517-38-2.
What is the molecular formula of Cetirizine Impurity A?
The molecular formula of Cetirizine Impurity A is C19H24Cl4N2O.
What is the molecular weight of Cetirizine Impurity A?
The molecular weight of Cetirizine Impurity A is 436.06427 g/mol.
Where can I buy Cetirizine Impurity A?
You can request a quote for Cetirizine Impurity A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cetirizine Impurity A?
Yes, CoreyChem provides custom synthesis services for Cetirizine Impurity A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.