RefChem:228860
TL;DR: RefChem:228860 (CAS 535-66-0) is a chemical compound with molecular formula C22H28Cl2FN3O4 and molecular weight 487.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-[4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride
Also Known As: 1-Butanone, 1-(4-fluorophenyl)-4-(4-(2-(2-nitrophenoxy)ethyl)-1-piperazinyl)-, dihydrochloride, 1-(4-fluorophenyl)-4-{4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl}butan-1-one dihydrochloride, N(sup 1)-(3-(4'-Fluorobenzoyl)propyl)-N(sup 2)-(2-(2'-nitrophenoxy)ethyl)piperazine 2HCl, 1-(4-fluorophenyl)-4-[4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl]butan-1-one dihydrochloride, 1-(4-Fluorophenyl)-4-{4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl}butan-1-one--hydrogen chloride (1/2)
| Molecular Formula | C22H28Cl2FN3O4 |
|---|---|
| Molecular Weight | 487.14 g/mol |
| LogP | 4.237 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.1441 |
| Heavy Atoms | 32 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 535-66-0 |
|---|---|
| SMILES | C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CCOC3=CC=CC=C3[N+](=O)[O-].Cl.Cl |
| InChIKey | GNAWPRCWVXMWSK-UHFFFAOYSA-N |
Product Overview
RefChem:228860 (CAS 535-66-0), with molecular formula C22H28Cl2FN3O4 and molecular weight 487.14 g/mol. IUPAC: 1-(4-fluorophenyl)-4-[4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride.
Chemical Property Profile of RefChem:228860
Property Insights of RefChem:228860
The XLogP value of 4.237 indicates that RefChem:228860 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:228860. Following Lipinski's Rule of Five, RefChem:228860 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:228860?
The CAS number of RefChem:228860 is 535-66-0.
What is the molecular formula of RefChem:228860?
The molecular formula of RefChem:228860 is C22H28Cl2FN3O4.
What is the molecular weight of RefChem:228860?
The molecular weight of RefChem:228860 is 487.14 g/mol.
Where can I buy RefChem:228860?
You can request a quote for RefChem:228860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228860?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.