CETIRIZINE HYDROCHLORIDE
TL;DR: CETIRIZINE HYDROCHLORIDE (CAS 130018-87-0) is a chemical compound with molecular formula C21H26Cl2N2O3 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;hydrochloride
Also Known As: CETIRIZINE HYDROCHLORIDE, Cetirizine dihydrochloride, cetirizinhydrochlorid, CetirizineHydrochloride, 2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid hydrochloride
| Molecular Formula | C21H26Cl2N2O3 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 3.57 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.13205 |
| Heavy Atoms | 28 |
| Complexity | 720.19037 |
Chemical Identifiers
| CAS Number | 130018-87-0 |
|---|---|
| SMILES | C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl |
Product Overview
CETIRIZINE HYDROCHLORIDE (CAS 130018-87-0), with molecular formula C21H26Cl2N2O3 and molecular weight 424.13 g/mol. IUPAC: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;hydrochloride.
Chemical Property Profile of CETIRIZINE HYDROCHLORIDE
Property Insights of CETIRIZINE HYDROCHLORIDE
The XLogP value of 3.57 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 53.01 Ų, CETIRIZINE HYDROCHLORIDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CETIRIZINE HYDROCHLORIDE has 1 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 CETIRIZINE HYDROCHLORIDE?
The CAS number of CETIRIZINE HYDROCHLORIDE is 130018-87-0.
What is the molecular formula of CETIRIZINE HYDROCHLORIDE?
The molecular formula of CETIRIZINE HYDROCHLORIDE is C21H26Cl2N2O3.
What is the molecular weight of CETIRIZINE HYDROCHLORIDE?
The molecular weight of CETIRIZINE HYDROCHLORIDE is 424.13 g/mol.
Where can I buy CETIRIZINE HYDROCHLORIDE?
You can request a quote for CETIRIZINE HYDROCHLORIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CETIRIZINE HYDROCHLORIDE?
Yes, KEHONG BIO provides custom synthesis services for CETIRIZINE HYDROCHLORIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.