RefChem:228846
TL;DR: RefChem:228846 (CAS 112446-90-9) is a chemical compound with molecular formula C26H34ClNO2 and molecular weight 427.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-cyclopentylphenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one;hydrochloride
Also Known As: 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-hydroxy-4-phenyl-1-piperidinyl)-, hydrochloride, hydrate, Butyrophenone, 4'-cyclopentyl-4-(4-hydroxy-4-phenylpiperidino)-, hydrochloride, hydrate, 1-(4-Cyclopentylphenyl)-4-(4-hydroxy-4-phenyl-1-piperidinyl)-1-butanone hydrochloride hydrate, 1-(4-cyclopentylphenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one hydrochloride, 1-(4-Cyclopentylphenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C26H34ClNO2 |
|---|---|
| Molecular Weight | 427.23 g/mol |
| LogP | 5.7125 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.2278 |
| Heavy Atoms | 30 |
| Complexity | 791.54315 |
Chemical Identifiers
| CAS Number | 112446-90-9 |
|---|---|
| SMILES | C1CCC(C1)C2=CC=C(C=C2)C(=O)CCCN3CCC(CC3)(C4=CC=CC=C4)O.Cl |
Product Overview
RefChem:228846 (CAS 112446-90-9), with molecular formula C26H34ClNO2 and molecular weight 427.23 g/mol. IUPAC: 1-(4-cyclopentylphenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one;hydrochloride.
Chemical Property Profile of RefChem:228846
Property Insights of RefChem:228846
The XLogP value of 5.7125 indicates that RefChem:228846 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, RefChem:228846 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228846 has 1 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:228846?
The CAS number of RefChem:228846 is 112446-90-9.
What is the molecular formula of RefChem:228846?
The molecular formula of RefChem:228846 is C26H34ClNO2.
What is the molecular weight of RefChem:228846?
The molecular weight of RefChem:228846 is 427.23 g/mol.
Where can I buy RefChem:228846?
You can request a quote for RefChem:228846 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228846?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228846 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.