Astemizole
TL;DR: Astemizole (CAS 68844-77-9) is a chemical compound with molecular formula C28H31FN4O and molecular weight 458.2482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
Also Known As: astemizole, Hismanal, Histaminos, Paralergin, Histamen
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C28H31FN4O |
| Molecular Weight | 458.2482 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.2482 Da |
| Heavy Atoms | 34 |
| Complexity | 599.0 |
| Melting Point | 149.1 |
| Solubility | 432 |
| SMILES | COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F |
| InChIKey | GXDALQBWZGODGZ-UHFFFAOYSA-N |
Product Description
Applications: Astemizole is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Astemizole (CAS 68844-77-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Astemizole (CAS 68844-77-9) has the molecular formula C28H31FN4O and a molecular weight of 458.25 g/mol. Reported properties include a solubility: 432. It is also known as astemizole and Hismanal.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Astemizole
Property Insights of Astemizole
The XLogP value of 6.0 indicates that Astemizole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, Astemizole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Astemizole has 1 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 Astemizole?
The CAS number of Astemizole is 68844-77-9.
What is the molecular formula of Astemizole?
The molecular formula of Astemizole is C28H31FN4O.
What is the molecular weight of Astemizole?
The molecular weight of Astemizole is 458.2482 g/mol.
What are the applications of Astemizole?
Astemizole is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Astemizole (CAS 68844-77-9) with custom...
Where can I buy Astemizole?
You can request a quote for Astemizole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Astemizole?
Yes, CoreyChem provides custom synthesis services for Astemizole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.