tert-Butyl Cetirizine
TL;DR: tert-Butyl Cetirizine (CAS 1276303-81-1) is a chemical compound with molecular formula C25H33ClN2O3 and molecular weight 444.21796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate
Also Known As: tert-Butyl Cetirizine, tert-ButylCetirizine-d8, tert-Butyl(S)-Cetirizine, tert-butyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate, [2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-acetic Acid 1,1-Dimethylethyl Ester
Technical Specifications
| Molecular Formula | C25H33ClN2O3 |
| Molecular Weight | 444.21796 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 444.21796 Da |
| Heavy Atoms | 31 |
| Complexity | 531.0 |
| SMILES | CC(C)(C)OC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl |
| InChIKey | CRBIKYGPQWQMAG-UHFFFAOYSA-N |
Chemical Property Profile of tert-Butyl Cetirizine
Property Insights of tert-Butyl Cetirizine
The XLogP value of 5.3 indicates that tert-Butyl Cetirizine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, tert-Butyl Cetirizine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl Cetirizine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of tert-Butyl Cetirizine?
The CAS number of tert-Butyl Cetirizine is 1276303-81-1.
What is the molecular formula of tert-Butyl Cetirizine?
The molecular formula of tert-Butyl Cetirizine is C25H33ClN2O3.
What is the molecular weight of tert-Butyl Cetirizine?
The molecular weight of tert-Butyl Cetirizine is 444.21796 g/mol.
Where can I buy tert-Butyl Cetirizine?
You can request a quote for tert-Butyl Cetirizine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl Cetirizine?
Yes, CoreyChem provides custom synthesis services for tert-Butyl Cetirizine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.