Hetolin hydrochloride
TL;DR: Hetolin hydrochloride (CAS 1949-07-1) is a chemical compound with molecular formula C26H26Cl4N2O and molecular weight 522.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-tris(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
Also Known As: Dicroden, Hetolin hydrochloride, Hetolin, HETOLIN HYDROCHLORIDE [MI], 1-Methyl-4-(3,3,3-tris(p-chlorophenyl)propionyl)piperazine monohydrochloride
| Molecular Formula | C26H26Cl4N2O |
|---|---|
| Molecular Weight | 522.08 g/mol |
| LogP | 6.57 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 524.07697 |
| Heavy Atoms | 33 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 1949-07-1 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl.Cl |
| InChIKey | WAHLMMKQTIGONH-UHFFFAOYSA-N |
Product Overview
Hetolin hydrochloride (CAS 1949-07-1), with molecular formula C26H26Cl4N2O and molecular weight 522.08 g/mol. IUPAC: 3,3,3-tris(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride.
Chemical Property Profile of Hetolin hydrochloride
Property Insights of Hetolin hydrochloride
The XLogP value of 6.57 indicates that Hetolin hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, Hetolin hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hetolin hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hetolin hydrochloride?
The CAS number of Hetolin hydrochloride is 1949-07-1.
What is the molecular formula of Hetolin hydrochloride?
The molecular formula of Hetolin hydrochloride is C26H26Cl4N2O.
What is the molecular weight of Hetolin hydrochloride?
The molecular weight of Hetolin hydrochloride is 522.08 g/mol.
Where can I buy Hetolin hydrochloride?
You can request a quote for Hetolin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hetolin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Hetolin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.