Teroxalene
TL;DR: Teroxalene (CAS 14728-33-7) is a chemical compound with molecular formula C28H41ClN2O and molecular weight 456.29 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
Also Known As: teroxaleno, Teroxalene [INN], teroxalenum, 1-(3-chloro-4-methylphenyl)-4-[6-[4-(2-methylbutan-2-yl)phenoxy]hexyl]piperazine, 2-(AMINOMETHYL)-3-PYRIDINECARBOXALDEHYDE
| Molecular Formula | C28H41ClN2O |
|---|---|
| Molecular Weight | 456.29 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 15.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 456.29074 |
| Heavy Atoms | 32 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 14728-33-7 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)OCCCCCCN2CCN(CC2)C3=CC(=C(C=C3)C)Cl |
| InChIKey | LRQIJOWDNRNLDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Teroxalene (CAS 14728-33-7), with molecular formula C28H41ClN2O and molecular weight 456.29 g/mol. IUPAC: 1-(3-chloro-4-methylphenyl)-4-[6-[4-(2-methylbutan-2-yl)phenoxy]hexyl]piperazine.
Chemical Property Profile of Teroxalene
Property Insights of Teroxalene
The XLogP value of 8.2 indicates that Teroxalene 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Teroxalene has 0 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?
The CAS number of Teroxalene is 14728-33-7.
What is the molecular formula of Teroxalene?
The molecular formula of Teroxalene is C28H41ClN2O.
What is the molecular weight of Teroxalene?
The molecular weight of Teroxalene is 456.29 g/mol.
Where can I buy Teroxalene?
You can request a quote for Teroxalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Teroxalene?
Yes, KEHONG BIO provides custom synthesis services for Teroxalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.