RefChem:218891
TL;DR: RefChem:218891 (CAS 71923-24-5) is a chemical compound with molecular formula C21H22Cl3FN2O3 and molecular weight 474.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one;dihydrochloride
Also Known As: 1,3-Dioxol-2-one, 5-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-, dihydrochloride, 5-(2-(4-(3-Chlorophenyl)-1-piperazinyl)ethyl)-4-(4-fluorophenyl)-1,3-dioxol-2-one 2HCl, 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one dihydrochloride, 1,3-DIOXOL-2-ONE, 5-(2-(4-(3-CHLOROPHENYL)-1-PIPERAZINYL)ETHYL)-4-(4-FLUOROPHENY, 4-{2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl}-5-(4-fluorophenyl)-2H-1,3-dioxol-2-one--hydrogen chloride (1/2)
| Molecular Formula | C21H22Cl3FN2O3 |
|---|---|
| Molecular Weight | 474.07 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.068 |
| Heavy Atoms | 30 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 71923-24-5 |
|---|---|
| SMILES | C1CN(CCN1CCC2=C(OC(=O)O2)C3=CC=C(C=C3)F)C4=CC(=CC=C4)Cl.Cl.Cl |
| InChIKey | XGRRPDOHCPHBJU-UHFFFAOYSA-N |
Product Overview
RefChem:218891 (CAS 71923-24-5), with molecular formula C21H22Cl3FN2O3 and molecular weight 474.07 g/mol. IUPAC: 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one;dihydrochloride.
Chemical Property Profile of RefChem:218891
Property Insights of RefChem:218891
The XLogP value of 4.9 indicates that RefChem:218891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, RefChem:218891 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:218891 has 2 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:218891?
The CAS number of RefChem:218891 is 71923-24-5.
What is the molecular formula of RefChem:218891?
The molecular formula of RefChem:218891 is C21H22Cl3FN2O3.
What is the molecular weight of RefChem:218891?
The molecular weight of RefChem:218891 is 474.07 g/mol.
Where can I buy RefChem:218891?
You can request a quote for RefChem:218891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:218891?
Yes, KEHONG BIO provides custom synthesis services for RefChem:218891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.