Teroxalene Hydrochloride
TL;DR: Teroxalene Hydrochloride (CAS 3845-22-5) is a chemical compound with molecular formula C28H42Cl2N2O and molecular weight 492.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methylphenyl)-4-[6-[4-(2-methylbutan-2-yl)phenoxy]hexyl]piperazine;hydrochloride
Also Known As: Teroxalene HCl, TEROXALENE HYDROCHLORIDE, Abbott 16612, Teroxalene hydrochloride [USAN], Teroxalene (hydrochloride)
| Molecular Formula | C28H42Cl2N2O |
|---|---|
| Molecular Weight | 492.27 g/mol |
| LogP | 7.52 |
| Topological Polar Surface Area | 15.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 492.26743 |
| Heavy Atoms | 33 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 3845-22-5 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)OCCCCCCN2CCN(CC2)C3=CC(=C(C=C3)C)Cl.Cl |
| InChIKey | GWLHCTMTLJQQKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Teroxalene Hydrochloride (CAS 3845-22-5), with molecular formula C28H42Cl2N2O and molecular weight 492.27 g/mol. IUPAC: 1-(3-chloro-4-methylphenyl)-4-[6-[4-(2-methylbutan-2-yl)phenoxy]hexyl]piperazine;hydrochloride.
Chemical Property Profile of Teroxalene Hydrochloride
Property Insights of Teroxalene Hydrochloride
The XLogP value of 7.52 indicates that Teroxalene Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.7 Ų, Teroxalene Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Teroxalene Hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Teroxalene Hydrochloride?
The CAS number of Teroxalene Hydrochloride is 3845-22-5.
What is the molecular formula of Teroxalene Hydrochloride?
The molecular formula of Teroxalene Hydrochloride is C28H42Cl2N2O.
What is the molecular weight of Teroxalene Hydrochloride?
The molecular weight of Teroxalene Hydrochloride is 492.27 g/mol.
Where can I buy Teroxalene Hydrochloride?
You can request a quote for Teroxalene Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Teroxalene Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Teroxalene Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.