Alinastine
TL;DR: Alinastine (CAS 214558-72-2) is a chemical compound with molecular formula C28H39N3O and molecular weight 433.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[2-(4-tert-butylphenyl)ethyl]piperidin-4-yl]-1-(2-ethoxyethyl)benzimidazole
Also Known As: Alinastine, Alinastina, Alinastine [INN], J1.090.369F, US10106522, Example 5 in EP 0580541
| Molecular Formula | C28H39N3O |
|---|---|
| Molecular Weight | 433.31 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 30.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.30933 |
| Heavy Atoms | 32 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 214558-72-2 |
|---|---|
| SMILES | CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C |
| InChIKey | NPWTVYBPSXCRPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alinastine (CAS 214558-72-2), with molecular formula C28H39N3O and molecular weight 433.31 g/mol. IUPAC: 2-[1-[2-(4-tert-butylphenyl)ethyl]piperidin-4-yl]-1-(2-ethoxyethyl)benzimidazole.
Chemical Property Profile of Alinastine
Property Insights of Alinastine
The XLogP value of 5.8 indicates that Alinastine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.3 Ų, Alinastine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alinastine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alinastine?
The CAS number of Alinastine is 214558-72-2.
What is the molecular formula of Alinastine?
The molecular formula of Alinastine is C28H39N3O.
What is the molecular weight of Alinastine?
The molecular weight of Alinastine is 433.31 g/mol.
Where can I buy Alinastine?
You can request a quote for Alinastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alinastine?
Yes, KEHONG BIO provides custom synthesis services for Alinastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.