Flezelastine
TL;DR: Flezelastine (CAS 135381-77-0) is a chemical compound with molecular formula C29H30FN3O and molecular weight 455.24 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
Also Known As: Flezelastine, flezelastina, flezelastinum, Flezelastine [INN], flezelastine[inn]
| Molecular Formula | C29H30FN3O |
|---|---|
| Molecular Weight | 455.24 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.2373 |
| Heavy Atoms | 34 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 135381-77-0 |
|---|---|
| SMILES | C1CC(CCN(C1)CCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F |
| InChIKey | HQFSNUYUXXPVKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Flezelastine (CAS 135381-77-0), with molecular formula C29H30FN3O and molecular weight 455.24 g/mol. IUPAC: 4-[(4-fluorophenyl)methyl]-2-[1-(2-phenylethyl)azepan-4-yl]phthalazin-1-one.
Chemical Property Profile of Flezelastine
Property Insights of Flezelastine
The XLogP value of 5.8 indicates that Flezelastine 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Flezelastine has 0 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?
The CAS number of Flezelastine is 135381-77-0.
What is the molecular formula of Flezelastine?
The molecular formula of Flezelastine is C29H30FN3O.
What is the molecular weight of Flezelastine?
The molecular weight of Flezelastine is 455.24 g/mol.
Where can I buy Flezelastine?
You can request a quote for Flezelastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flezelastine?
Yes, KEHONG BIO provides custom synthesis services for Flezelastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.