Hetolin
TL;DR: Hetolin (CAS 2390-22-9) is a chemical compound with molecular formula C26H25Cl3N2O and molecular weight 486.10 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
Also Known As: Hetolin, Dicroden, HETOLIN [MI], 3,3,3-tris(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-1-one, 1-methyl-4-[3,3,3-tris propionyl]piperazine
| Molecular Formula | C26H25Cl3N2O |
|---|---|
| Molecular Weight | 486.10 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.10324 |
| Heavy Atoms | 32 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 2390-22-9 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl |
| InChIKey | SWDPECKACXBPCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hetolin (CAS 2390-22-9), with molecular formula C26H25Cl3N2O and molecular weight 486.10 g/mol. IUPAC: 3,3,3-tris(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-1-one.
Chemical Property Profile of Hetolin
Property Insights of Hetolin
The XLogP value of 6.4 indicates that Hetolin 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hetolin has 0 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?
The CAS number of Hetolin is 2390-22-9.
What is the molecular formula of Hetolin?
The molecular formula of Hetolin is C26H25Cl3N2O.
What is the molecular weight of Hetolin?
The molecular weight of Hetolin is 486.10 g/mol.
Where can I buy Hetolin?
You can request a quote for Hetolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hetolin?
Yes, KEHONG BIO provides custom synthesis services for Hetolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.