三氯苯达唑亚砜
TL;DR: 三氯苯达唑亚砜 (CAS 100648-13-3) is a chemical compound with molecular formula C14H9Cl3N2O2S and molecular weight 373.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氯苯达唑亚砜
6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfinyl-1H-benzimidazole
Also Known As: Triclabendazole sulfoxide, Tcbz-SX, Octreotide, Hydroxy Triclabendazole, TCBZ-SO
| Molecular Formula | C14H9Cl3N2O2S |
|---|---|
| Molecular Weight | 373.95 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.94504 |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 100648-13-3 |
|---|---|
| SMILES | CS(=O)C1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl |
| InChIKey | GABQPFWIQFRJSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氯苯达唑亚砜 (CAS 100648-13-3), with molecular formula C14H9Cl3N2O2S and molecular weight 373.95 g/mol. IUPAC: 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfinyl-1H-benzimidazole.
Chemical Property Profile of 三氯苯达唑亚砜
Property Insights of 三氯苯达唑亚砜
The XLogP value of 4.4 indicates that 三氯苯达唑亚砜 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 三氯苯达唑亚砜. Following Lipinski's Rule of Five, 三氯苯达唑亚砜 has 1 hydrogen bond donor(s) and 4 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 三氯苯达唑亚砜?
The CAS number of 三氯苯达唑亚砜 is 100648-13-3.
What is the molecular formula of 三氯苯达唑亚砜?
The molecular formula of 三氯苯达唑亚砜 is C14H9Cl3N2O2S.
What is the molecular weight of 三氯苯达唑亚砜?
The molecular weight of 三氯苯达唑亚砜 is 373.95 g/mol.
Where can I buy 三氯苯达唑亚砜?
You can request a quote for 三氯苯达唑亚砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氯苯达唑亚砜?
Yes, KEHONG BIO provides custom synthesis services for 三氯苯达唑亚砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.