Cetirizine ethyl ester
TL;DR: Cetirizine ethyl ester (CAS 246870-46-2) is a chemical compound with molecular formula C23H29ClN2O3 and molecular weight 416.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate
Also Known As: Cetirizine Ethyl Ester, Cetirizine Related Compo, Levocetirizine Impurity 11, Cetirizine ethyl impurity 3, Cetirizine Related Compound A
| Molecular Formula | C23H29ClN2O3 |
|---|---|
| Molecular Weight | 416.19 g/mol |
| LogP | 3.6267 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.18668 |
| Heavy Atoms | 29 |
| Complexity | 746.4781 |
Chemical Identifiers
| CAS Number | 246870-46-2 |
|---|---|
| SMILES | CCOC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl |
Product Overview
Cetirizine ethyl ester (CAS 246870-46-2), with molecular formula C23H29ClN2O3 and molecular weight 416.19 g/mol. IUPAC: ethyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate.
Chemical Property Profile of Cetirizine ethyl ester
Property Insights of Cetirizine ethyl ester
The XLogP value of 3.6267 indicates that Cetirizine ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, Cetirizine ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cetirizine ethyl ester has 0 hydrogen bond donor(s) and 5 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 ethyl ester?
The CAS number of Cetirizine ethyl ester is 246870-46-2.
What is the molecular formula of Cetirizine ethyl ester?
The molecular formula of Cetirizine ethyl ester is C23H29ClN2O3.
What is the molecular weight of Cetirizine ethyl ester?
The molecular weight of Cetirizine ethyl ester is 416.19 g/mol.
Where can I buy Cetirizine ethyl ester?
You can request a quote for Cetirizine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cetirizine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cetirizine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.