Clofekton
TL;DR: Clofekton (CAS 28058-62-0) is a chemical compound with molecular formula C28H39Cl3N4O and molecular weight 552.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride
Also Known As: Clofekton, Clocarpramine HCl, Clocapramine dihydrochloride, clocapramine hydrochloride, Clocarpramine dihydrochloride
| Molecular Formula | C28H39Cl3N4O |
|---|---|
| Molecular Weight | 552.22 g/mol |
| LogP | -4.05 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 552.21893 |
| Heavy Atoms | 36 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 28058-62-0 |
|---|---|
| SMILES | C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCN3C4=CC=CC=C4CCC5=C3C=C(C=C5)Cl)C(=O)N.[Cl-].[Cl-] |
| InChIKey | UUTRFZNTTSPNOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Clofekton (CAS 28058-62-0), with molecular formula C28H39Cl3N4O and molecular weight 552.22 g/mol. IUPAC: 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride.
Chemical Property Profile of Clofekton
Property Insights of Clofekton
The XLogP value of -4.05 indicates that Clofekton is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.2 Ų, Clofekton exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Clofekton has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Clofekton?
The CAS number of Clofekton is 28058-62-0.
What is the molecular formula of Clofekton?
The molecular formula of Clofekton is C28H39Cl3N4O.
What is the molecular weight of Clofekton?
The molecular weight of Clofekton is 552.22 g/mol.
Where can I buy Clofekton?
You can request a quote for Clofekton directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clofekton?
Yes, KEHONG BIO provides custom synthesis services for Clofekton and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.