RefChem:228843
TL;DR: RefChem:228843 (CAS 112446-94-3) is a chemical compound with molecular formula C26H35ClN2O and molecular weight 426.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-cyclopentylphenyl)-4-[4-(2-methylphenyl)piperazin-1-yl]butan-1-one;hydrochloride
Also Known As: 1-(4-Cyclopentylphenyl)-4-(4-(2-tolyl)piperazino)butan-1-one hydrochloride, 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-(2-methylphenyl)-1-piperazinyl)-, hydrochloride, 1-(4-Cyclopentylphenyl)-4-(4-(2-methylphenyl)-1-piperazinyl)-1-butanone hydrochloride, 1-(4-cyclopentylphenyl)-4-[4-(2-methylphenyl)piperazin-1-yl]butan-1-one hydrochloride, 1-(4-Cyclopentylphenyl)-4-[4-(2-methylphenyl)piperazin-1-yl]butan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C26H35ClN2O |
|---|---|
| Molecular Weight | 426.24 g/mol |
| LogP | 5.85952 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.2438 |
| Heavy Atoms | 30 |
| Complexity | 806.0382 |
Chemical Identifiers
| CAS Number | 112446-94-3 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)C4CCCC4.Cl |
Product Overview
RefChem:228843 (CAS 112446-94-3), with molecular formula C26H35ClN2O and molecular weight 426.24 g/mol. IUPAC: 1-(4-cyclopentylphenyl)-4-[4-(2-methylphenyl)piperazin-1-yl]butan-1-one;hydrochloride.
Chemical Property Profile of RefChem:228843
Property Insights of RefChem:228843
The XLogP value of 5.85952 indicates that RefChem:228843 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, RefChem:228843 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228843 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:228843?
The CAS number of RefChem:228843 is 112446-94-3.
What is the molecular formula of RefChem:228843?
The molecular formula of RefChem:228843 is C26H35ClN2O.
What is the molecular weight of RefChem:228843?
The molecular weight of RefChem:228843 is 426.24 g/mol.
Where can I buy RefChem:228843?
You can request a quote for RefChem:228843 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228843?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228843 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.