Denoral
TL;DR: Denoral (CAS 58653-46-6) is a chemical compound with molecular formula C58H74Cl4IN5O2 and molecular weight 1139.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-phenylpropan-1-ol;1-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;4-(1-methylazepan-1-ium-1-yl)-2,2-diphenylbutanamide;iodide;trihydrochloride
Also Known As: Denoral, Denoral (tablet), FF 65, 1H-Azepinium, 1-(4-amino-4-oxo-3,3-diphenylbutyl)hexahydro-1-methyl-, iodide, mixt. with alpha-(1-aminoethyl)benzenemethanol hydrochloride and 1-((4-chlorophenyl)phenylmethyl)-4-(3-phenyl-2-propenyl)piperazine dihydrochloride, 1H-Azepinium, 1-(4-amino-4-oxo-3,3-diphenylbutyl)hexahydro-1-methyl-, iodide, mixt. with .alpha.-(1-aminoethyl)benzenemethanol hydrochloride and 1-[(4-chlorophenyl)phenylmethyl]-4-(3-phenyl-2-propenyl)piperazine dihydrochloride
| Molecular Formula | C58H74Cl4IN5O2 |
|---|---|
| Molecular Weight | 1139.36 g/mol |
| LogP | 8.9657 |
| Topological Polar Surface Area | 95.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 1139.3641 |
| Heavy Atoms | 70 |
| Complexity | 2279.0652 |
Chemical Identifiers
| CAS Number | 58653-46-6 |
|---|---|
| SMILES | CC(C(C1=CC=CC=C1)O)N.C[N+]1(CCCCCC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl.Cl.[I-] |
Product Overview
Denoral (CAS 58653-46-6), with molecular formula C58H74Cl4IN5O2 and molecular weight 1139.36 g/mol. IUPAC: 2-amino-1-phenylpropan-1-ol;1-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;4-(1-methylazepan-1-ium-1-yl)-2,2-diphenylbutanamide;iodide;trihydrochloride.
Chemical Property Profile of Denoral
Property Insights of Denoral
The XLogP value of 8.9657 indicates that Denoral is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Denoral. Following Lipinski's Rule of Five, Denoral has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Denoral?
The CAS number of Denoral is 58653-46-6.
What is the molecular formula of Denoral?
The molecular formula of Denoral is C58H74Cl4IN5O2.
What is the molecular weight of Denoral?
The molecular weight of Denoral is 1139.36 g/mol.
Where can I buy Denoral?
You can request a quote for Denoral directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Denoral?
Yes, KEHONG BIO provides custom synthesis services for Denoral and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.