DE(fluoro) chloroflezelastine
TL;DR: DE(fluoro) chloroflezelastine (CAS 103541-68-0) is a chemical compound with molecular formula C29H30ClN3O and molecular weight 471.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyl]-2-[1-(2-phenylethyl)azepan-4-yl]phthalazin-1-one
Also Known As: DE(fluoro) chloroflezelastine, DE(fluoro) chloroflezelastine hydrochloride, 4-((4-(Chlorophenyl)methyl)-2-(hexahydro-1-(2-phenylethyl)-1H-azepin-4-yl)-1(2H)-phthalazinone, 4-(4-chlorobenzyl)-2-[1-(2-phenylethyl)azepan-4-yl]phthalazin-1(2h)-one, 4-[(4-chlorophenyl)methyl]-2-(1-phenethylazepan-4-yl)phthalazin-1-one
| Molecular Formula | C29H30ClN3O |
|---|---|
| Molecular Weight | 471.21 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.20773 |
| Heavy Atoms | 34 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 103541-68-0 |
|---|---|
| SMILES | C1CC(CCN(C1)CCC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl |
| InChIKey | FQZPDUGONGVOMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DE(fluoro) chloroflezelastine (CAS 103541-68-0), with molecular formula C29H30ClN3O and molecular weight 471.21 g/mol. IUPAC: 4-[(4-chlorophenyl)methyl]-2-[1-(2-phenylethyl)azepan-4-yl]phthalazin-1-one.
Chemical Property Profile of DE(fluoro) chloroflezelastine
Property Insights of DE(fluoro) chloroflezelastine
The XLogP value of 6.3 indicates that DE(fluoro) chloroflezelastine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, DE(fluoro) chloroflezelastine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DE(fluoro) chloroflezelastine 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 DE(fluoro) chloroflezelastine?
The CAS number of DE(fluoro) chloroflezelastine is 103541-68-0.
What is the molecular formula of DE(fluoro) chloroflezelastine?
The molecular formula of DE(fluoro) chloroflezelastine is C29H30ClN3O.
What is the molecular weight of DE(fluoro) chloroflezelastine?
The molecular weight of DE(fluoro) chloroflezelastine is 471.21 g/mol.
Where can I buy DE(fluoro) chloroflezelastine?
You can request a quote for DE(fluoro) chloroflezelastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DE(fluoro) chloroflezelastine?
Yes, KEHONG BIO provides custom synthesis services for DE(fluoro) chloroflezelastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.