氮䓬斯汀
TL;DR: 氮䓬斯汀 (CAS 58581-89-8) is a chemical compound with molecular formula C22H24ClN3O and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氮䓬斯汀
4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one
Also Known As: azelastine, Azelastina, Azelastinum, Astelin, Optivar
| Molecular Formula | C22H24ClN3O |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.1608 |
| Heavy Atoms | 27 |
| Complexity | 558.0 |
| Melting Point | 225 |
| Solubility | Sparingly soluble (hydrochloride salt) |
Chemical Identifiers
| CAS Number | 58581-89-8 |
|---|---|
| SMILES | CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl |
| InChIKey | MBUVEWMHONZEQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氮䓬斯汀 (CAS 58581-89-8), with molecular formula C22H24ClN3O and molecular weight 381.16 g/mol. IUPAC: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one.
Chemical Property Profile of 氮䓬斯汀
Property Insights of 氮䓬斯汀
The XLogP value of 4.4 indicates that 氮䓬斯汀 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, 氮䓬斯汀 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氮䓬斯汀 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 氮䓬斯汀?
The CAS number of 氮䓬斯汀 is 58581-89-8.
What is the molecular formula of 氮䓬斯汀?
The molecular formula of 氮䓬斯汀 is C22H24ClN3O.
What is the molecular weight of 氮䓬斯汀?
The molecular weight of 氮䓬斯汀 is 381.16 g/mol.
Where can I buy 氮䓬斯汀?
You can request a quote for 氮䓬斯汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氮䓬斯汀?
Yes, KEHONG BIO provides custom synthesis services for 氮䓬斯汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.