RefChem:218884
TL;DR: RefChem:218884 (CAS 71923-23-4) is a chemical compound with molecular formula C22H21ClF4N2O3 and molecular weight 472.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethyl]-1,3-dioxol-2-one chloride
Also Known As: 1,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-(2-(4-(3-trifluoromethylphenyl)-1-piperazinyl)ethyl)-, hydrochloride, 4-(4-fluorophenyl)-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethyl]-1,3-dioxol-2-one chloride, 1,3-DIOXOL-2-ONE, 4-(4-FLUOROPHENYL)-5-(2-(4-(3-TRIFLUOROMETHYLPHENYL)-1-PIPERAZ, RefChem:218884
| Molecular Formula | C22H21ClF4N2O3 |
|---|---|
| Molecular Weight | 472.12 g/mol |
| LogP | 0.01 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.11768 |
| Heavy Atoms | 32 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 71923-23-4 |
|---|---|
| SMILES | C1CN(CC[NH+]1CCC2=C(OC(=O)O2)C3=CC=C(C=C3)F)C4=CC=CC(=C4)C(F)(F)F.[Cl-] |
| InChIKey | VCYBANKNPXVPKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:218884 (CAS 71923-23-4), with molecular formula C22H21ClF4N2O3 and molecular weight 472.12 g/mol. IUPAC: 4-(4-fluorophenyl)-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethyl]-1,3-dioxol-2-one chloride.
Chemical Property Profile of RefChem:218884
Property Insights of RefChem:218884
The XLogP value of 0.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:218884. With a topological polar surface area (TPSA) of 43.2 Ų, RefChem:218884 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:218884 has 1 hydrogen bond donor(s) and 9 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:218884?
The CAS number of RefChem:218884 is 71923-23-4.
What is the molecular formula of RefChem:218884?
The molecular formula of RefChem:218884 is C22H21ClF4N2O3.
What is the molecular weight of RefChem:218884?
The molecular weight of RefChem:218884 is 472.12 g/mol.
Where can I buy RefChem:218884?
You can request a quote for RefChem:218884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:218884?
Yes, KEHONG BIO provides custom synthesis services for RefChem:218884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.