RefChem:316900
TL;DR: RefChem:316900 (CAS 17766-80-2) is a chemical compound with molecular formula C19H31BrN2O6 and molecular weight 462.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-4-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone bromide
Also Known As: Acetophenone, 2-(4-(2-(2-hydroxyethoxy)ethyl)piperazinyl)-3',4',5'-trimethoxy-, hydrobromide, 1-(3,4,5-Trimethoxyphenacyl)-4-(2-(2-hydroxyethoxy)ethyl)piperazine hydrobromide, 2-(4-(2-(2-Hydroxyethoxy)ethyl)piperazinyl)-3',4',5'-trimethoxyacetophenone hydrobromide, Piperazine, 1-(2-(2-hydroxyethoxy)ethyl)-4-(3,4,5-trimethoxybenzoylmethyl)-, hydrobromide, 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-4-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone bromide
| Molecular Formula | C19H31BrN2O6 |
|---|---|
| Molecular Weight | 462.14 g/mol |
| LogP | -3.89 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 462.13654 |
| Heavy Atoms | 28 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 17766-80-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CN2CC[NH+](CC2)CCOCCO.[Br-] |
| InChIKey | HBUNXNRQXXJUOX-UHFFFAOYSA-N |
Product Overview
RefChem:316900 (CAS 17766-80-2), with molecular formula C19H31BrN2O6 and molecular weight 462.14 g/mol. IUPAC: 2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-4-ium-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone bromide.
Chemical Property Profile of RefChem:316900
Property Insights of RefChem:316900
The XLogP value of -3.89 indicates that RefChem:316900 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316900. Following Lipinski's Rule of Five, RefChem:316900 has 2 hydrogen bond donor(s) and 8 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:316900?
The CAS number of RefChem:316900 is 17766-80-2.
What is the molecular formula of RefChem:316900?
The molecular formula of RefChem:316900 is C19H31BrN2O6.
What is the molecular weight of RefChem:316900?
The molecular weight of RefChem:316900 is 462.14 g/mol.
Where can I buy RefChem:316900?
You can request a quote for RefChem:316900 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316900?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316900 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.