Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride
TL;DR: Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride (CAS 20800-18-4) is a chemical compound with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one chloride
Also Known As: 2'-(2-Piperidinoethoxy)butyrophenone hydrochloride, Butyrophenone, 6'-(2-piperidinoethoxy)-, hydrochloride, BUTYROPHENONE, 2'-(2-PIPERIDINOETHOXY)-, HYDROCHLORIDE, 1-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one chloride, RefChem:331370
| Molecular Formula | C17H26ClNO2 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | -0.88 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.1652 |
| Heavy Atoms | 21 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 20800-18-4 |
|---|---|
| SMILES | CCCC(=O)C1=CC=CC=C1OCC[NH+]2CCCCC2.[Cl-] |
| InChIKey | OIXPENSLUUZMLG-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride (CAS 20800-18-4), with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol. IUPAC: 1-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one chloride.
Chemical Property Profile of Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride
Property Insights of Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride
The XLogP value of -0.88 indicates that Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride has 1 hydrogen bond donor(s) and 3 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 Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride?
The CAS number of Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride is 20800-18-4.
What is the molecular formula of Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride?
The molecular formula of Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride is C17H26ClNO2.
What is the molecular weight of Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride?
The molecular weight of Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride is 311.17 g/mol.
Where can I buy Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride?
You can request a quote for Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 2'-(2-piperidinoethoxy)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.