Thenalidine
TL;DR: Thenalidine (CAS 86-12-4) is a chemical compound with molecular formula C17H22N2S and molecular weight 286.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
Also Known As: Thenalidine, Thenaldine, Thenophenopiperidine, Sanbosten, Tenalidina
| Molecular Formula | C17H22N2S |
|---|---|
| Molecular Weight | 286.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 34.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.15036 |
| Heavy Atoms | 20 |
| Complexity | 283.0 |
| Melting Point | 96 |
| Boiling Point | 159 |
Chemical Identifiers
| CAS Number | 86-12-4 |
|---|---|
| SMILES | CN1CCC(CC1)N(CC2=CC=CS2)C3=CC=CC=C3 |
| InChIKey | KLOHYVOVXOUKQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thenalidine (CAS 86-12-4), with molecular formula C17H22N2S and molecular weight 286.15 g/mol. IUPAC: 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine.
Chemical Property Profile of Thenalidine
Property Insights of Thenalidine
The XLogP value of 3.8 indicates that Thenalidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.7 Ų, Thenalidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thenalidine has 0 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 Thenalidine?
The CAS number of Thenalidine is 86-12-4.
What is the molecular formula of Thenalidine?
The molecular formula of Thenalidine is C17H22N2S.
What is the molecular weight of Thenalidine?
The molecular weight of Thenalidine is 286.15 g/mol.
Where can I buy Thenalidine?
You can request a quote for Thenalidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thenalidine?
Yes, KEHONG BIO provides custom synthesis services for Thenalidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.