噻康唑
TL;DR: 噻康唑 (CAS 65899-73-2) is a chemical compound with molecular formula C16H13Cl3N2OS and molecular weight 385.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
噻康唑
1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Also Known As: tioconazole, Vagistat, Trosyd, Trosyl, Tioconazol
| Molecular Formula | C16H13Cl3N2OS |
|---|---|
| Molecular Weight | 385.98 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.9814 |
| Heavy Atoms | 23 |
| Complexity | 379.0 |
| Solubility | 1.65e-02 g/L |
Chemical Identifiers
| CAS Number | 65899-73-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl |
| InChIKey | QXHHHPZILQDDPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
噻康唑 (CAS 65899-73-2), with molecular formula C16H13Cl3N2OS and molecular weight 385.98 g/mol. IUPAC: 1-[2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole.
Chemical Property Profile of 噻康唑
Property Insights of 噻康唑
The XLogP value of 5.3 indicates that 噻康唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.3 Ų, 噻康唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 噻康唑 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 噻康唑?
The CAS number of 噻康唑 is 65899-73-2.
What is the molecular formula of 噻康唑?
The molecular formula of 噻康唑 is C16H13Cl3N2OS.
What is the molecular weight of 噻康唑?
The molecular weight of 噻康唑 is 385.98 g/mol.
Where can I buy 噻康唑?
You can request a quote for 噻康唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 噻康唑?
Yes, KEHONG BIO provides custom synthesis services for 噻康唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.