RefChem:228866
TL;DR: RefChem:228866 (CAS 5353-29-7) is a chemical compound with molecular formula C23H30Cl2FN3O5 and molecular weight 517.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl]butan-1-one;dihydrochloride
Also Known As: Methyl-4-isopropylallophanimidat, KST-1B4994, 1-Butanone, 1-(4-fluorophenyl)-4-(4-(2-hydroxy-3-(4-nitrophenoxy)propyl)-1-piperazinyl)-, dihydrochloride, N1-(3-(4'-Fluorobenzoyl)propyl)-N2-(3-(4'-nitrophenoxy)-2-hydroxypropyl)piperazine 2HCl, 1-(4-Fluorophenyl)-4-(4-(2-hydroxy-3-(4-nitrophenoxy)propyl)-1-piperazinyl)-1-butanone 2HCl
| Molecular Formula | C23H30Cl2FN3O5 |
|---|---|
| Molecular Weight | 517.15 g/mol |
| LogP | 3.5979 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 517.15466 |
| Heavy Atoms | 34 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 5353-29-7 |
|---|---|
| SMILES | C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O.Cl.Cl |
| InChIKey | OTYCNBHVEHRAPQ-UHFFFAOYSA-N |
Product Overview
RefChem:228866 (CAS 5353-29-7), with molecular formula C23H30Cl2FN3O5 and molecular weight 517.15 g/mol. IUPAC: 1-(4-fluorophenyl)-4-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl]butan-1-one;dihydrochloride.
Chemical Property Profile of RefChem:228866
Property Insights of RefChem:228866
The XLogP value of 3.5979 indicates that RefChem:228866 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:228866. Following Lipinski's Rule of Five, RefChem:228866 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:228866?
The CAS number of RefChem:228866 is 5353-29-7.
What is the molecular formula of RefChem:228866?
The molecular formula of RefChem:228866 is C23H30Cl2FN3O5.
What is the molecular weight of RefChem:228866?
The molecular weight of RefChem:228866 is 517.15 g/mol.
Where can I buy RefChem:228866?
You can request a quote for RefChem:228866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228866?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.