RefChem:316873
TL;DR: RefChem:316873 (CAS 63990-73-8) is a chemical compound with molecular formula C22H28ClNO4 and molecular weight 405.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-ium-1-yl)propoxy]phenyl]ethanone chloride
Also Known As: Acetophenone, 2'-((2-hydroxy-3-(4-hydroxy-4-phenylpiperidino))propoxy)-, hydrochloride, 2'-((2-Hydroxy-3-(4-hydroxy-4-phenylpiperidino))propoxy)acetophenone hydrochloride, 1-[2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-ium-1-yl)propoxy]phenyl]ethanone chloride, ACETOPHENONE,2-((2-HYDROXY-3-(4-HYDROXY-4-PHENYLPIPERIDIN-1-YL))PROPOXY)-,HYDROCH, Ethanone, 1-[2-[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy]phenyl]-, hydrochloride
| Molecular Formula | C22H28ClNO4 |
|---|---|
| Molecular Weight | 405.17 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.1707 |
| Heavy Atoms | 28 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 63990-73-8 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1OCC(C[NH+]2CCC(CC2)(C3=CC=CC=C3)O)O.[Cl-] |
| InChIKey | WDTNZRVRIDKXCF-UHFFFAOYSA-N |
Product Overview
RefChem:316873 (CAS 63990-73-8), with molecular formula C22H28ClNO4 and molecular weight 405.17 g/mol. IUPAC: 1-[2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-ium-1-yl)propoxy]phenyl]ethanone chloride.
Chemical Property Profile of RefChem:316873
Property Insights of RefChem:316873
The XLogP value of -1.8 indicates that RefChem:316873 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316873. Following Lipinski's Rule of Five, RefChem:316873 has 3 hydrogen bond donor(s) and 5 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:316873?
The CAS number of RefChem:316873 is 63990-73-8.
What is the molecular formula of RefChem:316873?
The molecular formula of RefChem:316873 is C22H28ClNO4.
What is the molecular weight of RefChem:316873?
The molecular weight of RefChem:316873 is 405.17 g/mol.
Where can I buy RefChem:316873?
You can request a quote for RefChem:316873 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316873?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316873 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.