硫康唑
TL;DR: 硫康唑 (CAS 61318-90-9) is a chemical compound with molecular formula C18H15Cl3N2S and molecular weight 396.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫康唑
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
Also Known As: sulconazole, Sulconazol, Sulconazolum, Exelderm, Sulconazole nitrate
| Molecular Formula | C18H15Cl3N2S |
|---|---|
| Molecular Weight | 396.00 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.00217 |
| Heavy Atoms | 24 |
| Complexity | 379.0 |
| Melting Point | 130ºC |
| Solubility | Slightly soluble |
Chemical Identifiers
| CAS Number | 61318-90-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl |
| InChIKey | AFNXATANNDIXLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫康唑 (CAS 61318-90-9), with molecular formula C18H15Cl3N2S and molecular weight 396.00 g/mol. IUPAC: 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole.
Chemical Property Profile of 硫康唑
Property Insights of 硫康唑
The XLogP value of 6.1 indicates that 硫康唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 硫康唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫康唑 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫康唑?
The CAS number of 硫康唑 is 61318-90-9.
What is the molecular formula of 硫康唑?
The molecular formula of 硫康唑 is C18H15Cl3N2S.
What is the molecular weight of 硫康唑?
The molecular weight of 硫康唑 is 396.00 g/mol.
Where can I buy 硫康唑?
You can request a quote for 硫康唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫康唑?
Yes, KEHONG BIO provides custom synthesis services for 硫康唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.