RefChem:218889
TL;DR: RefChem:218889 (CAS 71923-06-3) is a chemical compound with molecular formula C21H20Cl3FN2O3 and molecular weight 472.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-(2,5-dichlorophenyl)piperazin-1-ium-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one chloride
Also Known As: 1,3-Dioxol-2-one, 5-(2-(4-(2,5-dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, hydrochloride, 5-(2-(4-(2,5-Dichlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-1,3-dioxol-2-one HCl, 4-[2-[4-(2,5-dichlorophenyl)piperazin-1-ium-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one chloride, 1,3-DIOXOL-2-ONE, 5-(2-(4-(2,5-DICHLOROPHENYL)-1-PIPERAZINYL)ETHYL)-4-(4-FLUOROP, RefChem:218889
| Molecular Formula | C21H20Cl3FN2O3 |
|---|---|
| Molecular Weight | 472.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 43.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.05237 |
| Heavy Atoms | 30 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 71923-06-3 |
|---|---|
| SMILES | C1CN(CC[NH+]1CCC2=C(OC(=O)O2)C3=CC=C(C=C3)F)C4=C(C=CC(=C4)Cl)Cl.[Cl-] |
| InChIKey | RGZXVCSFEYVCIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:218889 (CAS 71923-06-3), with molecular formula C21H20Cl3FN2O3 and molecular weight 472.05 g/mol. IUPAC: 4-[2-[4-(2,5-dichlorophenyl)piperazin-1-ium-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one chloride.
Chemical Property Profile of RefChem:218889
Property Insights of RefChem:218889
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:218889. With a topological polar surface area (TPSA) of 43.2 Ų, RefChem:218889 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:218889 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:218889?
The CAS number of RefChem:218889 is 71923-06-3.
What is the molecular formula of RefChem:218889?
The molecular formula of RefChem:218889 is C21H20Cl3FN2O3.
What is the molecular weight of RefChem:218889?
The molecular weight of RefChem:218889 is 472.05 g/mol.
Where can I buy RefChem:218889?
You can request a quote for RefChem:218889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:218889?
Yes, KEHONG BIO provides custom synthesis services for RefChem:218889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.