Sertaconazole
TL;DR: Sertaconazole (CAS 99592-32-2) is a chemical compound with molecular formula C20H15Cl3N2OS and molecular weight 436.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Also Known As: Sertaconazole, Sertaconazol, Sertaconazolum, Demofix, Sertaconazole nitrate
| Molecular Formula | C20H15Cl3N2OS |
|---|---|
| Molecular Weight | 436.00 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.99707 |
| Heavy Atoms | 27 |
| Complexity | 488.0 |
| Solubility | Practically insoluble |
Chemical Identifiers
| CAS Number | 99592-32-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl |
| InChIKey | JLGKQTAYUIMGRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sertaconazole (CAS 99592-32-2), with molecular formula C20H15Cl3N2OS and molecular weight 436.00 g/mol. IUPAC: 1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole.
Chemical Property Profile of Sertaconazole
Property Insights of Sertaconazole
The XLogP value of 6.3 indicates that Sertaconazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.3 Ų, Sertaconazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sertaconazole 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 Sertaconazole?
The CAS number of Sertaconazole is 99592-32-2.
What is the molecular formula of Sertaconazole?
The molecular formula of Sertaconazole is C20H15Cl3N2OS.
What is the molecular weight of Sertaconazole?
The molecular weight of Sertaconazole is 436.00 g/mol.
Where can I buy Sertaconazole?
You can request a quote for Sertaconazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sertaconazole?
Yes, KEHONG BIO provides custom synthesis services for Sertaconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.