RefChem:218883
TL;DR: RefChem:218883 (CAS 95217-29-1) is a chemical compound with molecular formula C22H25Cl2FN2O4 and molecular weight 470.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-dioxol-2-one;dihydrochloride
Also Known As: 1,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, dihydrochloride, 4-(4-Fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-1,3-dioxol-2-one 2HCl, 4-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-dioxol-2-one dihydrochloride, 1,3-DIOXOL-2-ONE, 4-(4-FLUOROPHENYL)-5-(2-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)ETH, 4-(4-fluorophenyl)-5-[2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl]-1,3-dioxol-2-one dihydrochloride
| Molecular Formula | C22H25Cl2FN2O4 |
|---|---|
| Molecular Weight | 470.12 g/mol |
| LogP | 4.26 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.11755 |
| Heavy Atoms | 31 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 95217-29-1 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CCC3=C(OC(=O)O3)C4=CC=C(C=C4)F.Cl.Cl |
| InChIKey | CHRSGMSEDZAAAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:218883 (CAS 95217-29-1), with molecular formula C22H25Cl2FN2O4 and molecular weight 470.12 g/mol. IUPAC: 4-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-dioxol-2-one;dihydrochloride.
Chemical Property Profile of RefChem:218883
Property Insights of RefChem:218883
The XLogP value of 4.26 indicates that RefChem:218883 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, RefChem:218883 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:218883 has 2 hydrogen bond donor(s) and 7 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:218883?
The CAS number of RefChem:218883 is 95217-29-1.
What is the molecular formula of RefChem:218883?
The molecular formula of RefChem:218883 is C22H25Cl2FN2O4.
What is the molecular weight of RefChem:218883?
The molecular weight of RefChem:218883 is 470.12 g/mol.
Where can I buy RefChem:218883?
You can request a quote for RefChem:218883 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:218883?
Yes, KEHONG BIO provides custom synthesis services for RefChem:218883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.