三氯苯达唑
TL;DR: 三氯苯达唑 (CAS 68786-66-3) is a chemical compound with molecular formula C14H9Cl3N2OS and molecular weight 357.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氯苯达唑
6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole
Also Known As: Triclabendazole, Fasinex, Triclabendazol, Egaten, Triclabendazolum
| Molecular Formula | C14H9Cl3N2OS |
|---|---|
| Molecular Weight | 357.95 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.9501 |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
| Melting Point | 189-191 |
| Boiling Point | 496 |
| Solubility | 1 |
Chemical Identifiers
| CAS Number | 68786-66-3 |
|---|---|
| SMILES | CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl |
| InChIKey | NQPDXQQQCQDHHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氯苯达唑 (CAS 68786-66-3), with molecular formula C14H9Cl3N2OS and molecular weight 357.95 g/mol. IUPAC: 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole.
Chemical Property Profile of 三氯苯达唑
Property Insights of 三氯苯达唑
The XLogP value of 5.7 indicates that 三氯苯达唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 三氯苯达唑. Following Lipinski's Rule of Five, 三氯苯达唑 has 1 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 三氯苯达唑?
The CAS number of 三氯苯达唑 is 68786-66-3.
What is the molecular formula of 三氯苯达唑?
The molecular formula of 三氯苯达唑 is C14H9Cl3N2OS.
What is the molecular weight of 三氯苯达唑?
The molecular weight of 三氯苯达唑 is 357.95 g/mol.
Where can I buy 三氯苯达唑?
You can request a quote for 三氯苯达唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氯苯达唑?
Yes, KEHONG BIO provides custom synthesis services for 三氯苯达唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.