Halethazole
TL;DR: Halethazole (CAS 15599-36-7) is a chemical compound with molecular formula C19H21ClN2OS and molecular weight 360.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine
Also Known As: Halethazole, Haletazol, Episol, Haletazolum, Haletazole [INN]
| Molecular Formula | C19H21ClN2OS |
|---|---|
| Molecular Weight | 360.11 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.10632 |
| Heavy Atoms | 24 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 15599-36-7 |
|---|---|
| SMILES | CCN(CC)CCOC1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl |
| InChIKey | TXOKWXJQVFUUDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Halethazole (CAS 15599-36-7), with molecular formula C19H21ClN2OS and molecular weight 360.11 g/mol. IUPAC: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine.
Chemical Property Profile of Halethazole
Property Insights of Halethazole
The XLogP value of 5.6 indicates that Halethazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, Halethazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Halethazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Halethazole?
The CAS number of Halethazole is 15599-36-7.
What is the molecular formula of Halethazole?
The molecular formula of Halethazole is C19H21ClN2OS.
What is the molecular weight of Halethazole?
The molecular weight of Halethazole is 360.11 g/mol.
Where can I buy Halethazole?
You can request a quote for Halethazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Halethazole?
Yes, KEHONG BIO provides custom synthesis services for Halethazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.