Flezelastine hydrochloride
TL;DR: Flezelastine hydrochloride (CAS 110406-33-2) is a chemical compound with molecular formula C29H31ClFN3O and molecular weight 491.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)methyl]-2-[1-(2-phenylethyl)azepan-4-yl]phthalazin-1-one;hydrochloride
Also Known As: Flezelastine, Flezelastine hydrochloride, Flezelastine monohydrochloride, Flezelastine hydrochloride, (+), Flezelastine hydrochloride, (-)-
| Molecular Formula | C29H31ClFN3O |
|---|---|
| Molecular Weight | 491.21 g/mol |
| LogP | 5.82 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.21396 |
| Heavy Atoms | 35 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 110406-33-2 |
|---|---|
| SMILES | C1CC(CCN(C1)CCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F.Cl |
| InChIKey | KBNISKYDAJMVNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Flezelastine hydrochloride (CAS 110406-33-2), with molecular formula C29H31ClFN3O and molecular weight 491.21 g/mol. IUPAC: 4-[(4-fluorophenyl)methyl]-2-[1-(2-phenylethyl)azepan-4-yl]phthalazin-1-one;hydrochloride.
Chemical Property Profile of Flezelastine hydrochloride
Property Insights of Flezelastine hydrochloride
The XLogP value of 5.82 indicates that Flezelastine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, Flezelastine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Flezelastine hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Flezelastine hydrochloride?
The CAS number of Flezelastine hydrochloride is 110406-33-2.
What is the molecular formula of Flezelastine hydrochloride?
The molecular formula of Flezelastine hydrochloride is C29H31ClFN3O.
What is the molecular weight of Flezelastine hydrochloride?
The molecular weight of Flezelastine hydrochloride is 491.21 g/mol.
Where can I buy Flezelastine hydrochloride?
You can request a quote for Flezelastine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flezelastine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Flezelastine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.