RefChem:1054376
TL;DR: RefChem:1054376 (CAS 40504-41-4) is a chemical compound with molecular formula C23H26ClF4NO and molecular weight 443.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-fluorophenyl)-4-oxobutyl]-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]azanium chloride
Also Known As: [4-(4-fluorophenyl)-4-oxobutyl]-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]azanium chloride|Butyrophenone, 4'-fluoro-4-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)cyclohexylamino)-, hydrochloride, (E)-|BUTYROPHENONE, 4'-FLUORO-4-(4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)CYCLOHEXYLAMI|1-(4-Fluorophenyl)-4-((4-(3-(trifluoromethyl)phenyl)cyclohexyl)amino)butan-1-one--hydrogen chloride (1/1)|1-Butanone, 1-(4-fluorophenyl)-4-[[4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-, hydrochloride, trans-|RefChem:1054376|DTXCID401388746
| Molecular Formula | C23H26ClF4NO |
|---|---|
| Molecular Weight | 443.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 33.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.1639 |
| Heavy Atoms | 30 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 40504-41-4 |
|---|---|
| SMILES | C1CC(CCC1C2=CC(=CC=C2)C(F)(F)F)[NH2+]CCCC(=O)C3=CC=C(C=C3)F.[Cl-] |
| InChIKey | QCJSHKVMMQPCKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1054376 (CAS 40504-41-4), with molecular formula C23H26ClF4NO and molecular weight 443.16 g/mol. IUPAC: [4-(4-fluorophenyl)-4-oxobutyl]-[4-[3-(trifluoromethyl)phenyl]cyclohexyl]azanium chloride.
Chemical Property Profile of RefChem:1054376
Property Insights of RefChem:1054376
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054376. With a topological polar surface area (TPSA) of 33.7 Ų, RefChem:1054376 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054376 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1054376?
The CAS number of RefChem:1054376 is 40504-41-4.
What is the molecular formula of RefChem:1054376?
The molecular formula of RefChem:1054376 is C23H26ClF4NO.
What is the molecular weight of RefChem:1054376?
The molecular weight of RefChem:1054376 is 443.16 g/mol.
Where can I buy RefChem:1054376?
You can request a quote for RefChem:1054376 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054376?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054376 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.