RefChem:1054378
TL;DR: RefChem:1054378 (CAS 36771-98-9) is a chemical compound with molecular formula C22H26ClF2NO and molecular weight 393.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-fluorophenyl)cyclohexyl]-[4-(4-fluorophenyl)-4-oxobutyl]azanium chloride
Also Known As: cis-4'-Fluoro-4-(4-(p-fluorophenyl)cyclohexylamino)butyrophenone hydrochloride, Butyrophenone, 4'-fluoro-4-(4-(p-fluorophenyl)cyclohexylamino)-, hydrochloride, (Z)-, [4-(4-Fluorophenyl)cyclohexyl]-[4-(4-fluorophenyl)-4-oxobutyl]azaniumchloride, [4-(4-fluorophenyl)cyclohexyl]-[4-(4-fluorophenyl)-4-oxobutyl]azanium chloride, BUTYROPHENONE, 4'-FLUORO-4-(4-(p-FLUOROPHENYL)CYCLOHEXYLAMINO)-, HYDROCHLORIDE,
| Molecular Formula | C22H26ClF2NO |
|---|---|
| Molecular Weight | 393.17 g/mol |
| LogP | 1.22 |
| Topological Polar Surface Area | 33.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.16708 |
| Heavy Atoms | 27 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 36771-98-9 |
|---|---|
| SMILES | C1CC(CCC1C2=CC=C(C=C2)F)[NH2+]CCCC(=O)C3=CC=C(C=C3)F.[Cl-] |
| InChIKey | MKUVHLRYFYZRMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1054378 (CAS 36771-98-9), with molecular formula C22H26ClF2NO and molecular weight 393.17 g/mol. IUPAC: [4-(4-fluorophenyl)cyclohexyl]-[4-(4-fluorophenyl)-4-oxobutyl]azanium chloride.
Chemical Property Profile of RefChem:1054378
Property Insights of RefChem:1054378
The XLogP value of 1.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1054378. With a topological polar surface area (TPSA) of 33.7 Ų, RefChem:1054378 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054378 has 1 hydrogen bond donor(s) and 4 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:1054378?
The CAS number of RefChem:1054378 is 36771-98-9.
What is the molecular formula of RefChem:1054378?
The molecular formula of RefChem:1054378 is C22H26ClF2NO.
What is the molecular weight of RefChem:1054378?
The molecular weight of RefChem:1054378 is 393.17 g/mol.
Where can I buy RefChem:1054378?
You can request a quote for RefChem:1054378 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054378?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054378 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.