Thenalidine maleate
TL;DR: Thenalidine maleate (CAS 53892-20-9) is a chemical compound with molecular formula C21H26N2O4S and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
Also Known As: Thenalidine maleate, EINECS 258-844-2, THENALIDINE HYDROGEN MALEATE, THENALIDINE MALEATE [WHO-DD], 1-Methyl-4-(phenyl(thien-2-ylmethyl)ammonio)piperidinium maleate
| Molecular Formula | C21H26N2O4S |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 3.5607 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.16132 |
| Heavy Atoms | 28 |
| Complexity | 737.9775 |
Chemical Identifiers
| CAS Number | 53892-20-9 |
|---|---|
| SMILES | CN1CCC(CC1)N(CC2=CC=CS2)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O |
Product Overview
Thenalidine maleate (CAS 53892-20-9), with molecular formula C21H26N2O4S and molecular weight 402.16 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine.
Chemical Property Profile of Thenalidine maleate
Property Insights of Thenalidine maleate
The XLogP value of 3.5607 indicates that Thenalidine maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Thenalidine maleate. Following Lipinski's Rule of Five, Thenalidine maleate has 2 hydrogen bond donor(s) and 5 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 maleate?
The CAS number of Thenalidine maleate is 53892-20-9.
What is the molecular formula of Thenalidine maleate?
The molecular formula of Thenalidine maleate is C21H26N2O4S.
What is the molecular weight of Thenalidine maleate?
The molecular weight of Thenalidine maleate is 402.16 g/mol.
Where can I buy Thenalidine maleate?
You can request a quote for Thenalidine maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thenalidine maleate?
Yes, KEHONG BIO provides custom synthesis services for Thenalidine maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.