RefChem:228842
TL;DR: RefChem:228842 (CAS 112446-92-1) is a chemical compound with molecular formula C21H34Cl2N2O2 and molecular weight 416.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-cyclopentylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
Also Known As: 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride, 1-(4-Cyclopentylphenyl)-4-(4-(2-hydroxyethyl)-1-piperazinyl)-1-butanone dihydrochloride, Butyrophenone, 4'-cyclopentyl-4-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride, 1-(4-Cyclopentylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-onedihydrochloride, 1-(4-cyclopentylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
| Molecular Formula | C21H34Cl2N2O2 |
|---|---|
| Molecular Weight | 416.20 g/mol |
| LogP | 3.76 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.19974 |
| Heavy Atoms | 27 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 112446-92-1 |
|---|---|
| SMILES | C1CCC(C1)C2=CC=C(C=C2)C(=O)CCCN3CCN(CC3)CCO.Cl.Cl |
| InChIKey | ARMNYHAWWSXYAH-UHFFFAOYSA-N |
Product Overview
RefChem:228842 (CAS 112446-92-1), with molecular formula C21H34Cl2N2O2 and molecular weight 416.20 g/mol. IUPAC: 1-(4-cyclopentylphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride.
Chemical Property Profile of RefChem:228842
Property Insights of RefChem:228842
The XLogP value of 3.76 indicates that RefChem:228842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, RefChem:228842 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228842 has 3 hydrogen bond donor(s) and 4 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:228842?
The CAS number of RefChem:228842 is 112446-92-1.
What is the molecular formula of RefChem:228842?
The molecular formula of RefChem:228842 is C21H34Cl2N2O2.
What is the molecular weight of RefChem:228842?
The molecular weight of RefChem:228842 is 416.20 g/mol.
Where can I buy RefChem:228842?
You can request a quote for RefChem:228842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228842?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.