Episol hydrochloride
TL;DR: Episol hydrochloride (CAS 2607-31-0) is a chemical compound with molecular formula C19H22Cl2N2OS and molecular weight 396.08 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]ethyl-diethylazanium chloride
Also Known As: Episol hydrochloride, Episol HCl, Halethazole hydrochloride, BENZOTHIAZOLE, 5-CHLORO-2-(p-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-, HYDROCHLORIDE, 5-Chloro-2-(p-(2-(diethylamino)ethoxy)phenyl)benzothiazole hydrochloride
| Molecular Formula | C19H22Cl2N2OS |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 0.92 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.08298 |
| Heavy Atoms | 25 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 2607-31-0 |
|---|---|
| SMILES | CC[NH+](CC)CCOC1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl.[Cl-] |
| InChIKey | ZDKBIKAYRLTVKY-UHFFFAOYSA-N |
Product Overview
Episol hydrochloride (CAS 2607-31-0), with molecular formula C19H22Cl2N2OS and molecular weight 396.08 g/mol. IUPAC: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]ethyl-diethylazanium chloride.
Chemical Property Profile of Episol hydrochloride
Property Insights of Episol hydrochloride
The XLogP value of 0.92 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Episol hydrochloride. With a topological polar surface area (TPSA) of 54.8 Ų, Episol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Episol hydrochloride 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 Episol hydrochloride?
The CAS number of Episol hydrochloride is 2607-31-0.
What is the molecular formula of Episol hydrochloride?
The molecular formula of Episol hydrochloride is C19H22Cl2N2OS.
What is the molecular weight of Episol hydrochloride?
The molecular weight of Episol hydrochloride is 396.08 g/mol.
Where can I buy Episol hydrochloride?
You can request a quote for Episol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Episol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Episol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.