Thiphenamil hydrochloride
TL;DR: Thiphenamil hydrochloride (CAS 548-68-5) is a chemical compound with molecular formula C20H26ClNOS and molecular weight 363.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride
Also Known As: Thiphenamil hydrochloride, Thiphenamil HCl, Trocinate, Trocinat, Thiphen
| Molecular Formula | C20H26ClNOS |
|---|---|
| Molecular Weight | 363.14 g/mol |
| LogP | 4.84 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 363.14236 |
| Heavy Atoms | 24 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 548-68-5 |
|---|---|
| SMILES | CCN(CC)CCSC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl |
| InChIKey | MZWKCFGWAWRHDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiphenamil hydrochloride (CAS 548-68-5), with molecular formula C20H26ClNOS and molecular weight 363.14 g/mol. IUPAC: S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride.
Chemical Property Profile of Thiphenamil hydrochloride
Property Insights of Thiphenamil hydrochloride
The XLogP value of 4.84 indicates that Thiphenamil hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Thiphenamil hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiphenamil hydrochloride has 1 hydrogen bond donor(s) and 3 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 Thiphenamil hydrochloride?
The CAS number of Thiphenamil hydrochloride is 548-68-5.
What is the molecular formula of Thiphenamil hydrochloride?
The molecular formula of Thiphenamil hydrochloride is C20H26ClNOS.
What is the molecular weight of Thiphenamil hydrochloride?
The molecular weight of Thiphenamil hydrochloride is 363.14 g/mol.
Where can I buy Thiphenamil hydrochloride?
You can request a quote for Thiphenamil hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiphenamil hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Thiphenamil hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.