Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride
TL;DR: Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride (CAS 20809-22-7) is a chemical compound with molecular formula C18H30ClNO2 and molecular weight 327.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-methylpropanoyl)phenoxy]ethyl-di(propan-2-yl)azanium chloride
Also Known As: Isobutyrophenone, 6'-(2-(diisopropylamino)ethoxy)-, hydrochloride, 2-Isobutyryl-beta-(N,N-diisopropyl)phenoxyethylamine, hydrochloride, ISOBUTYROPHENONE, 2'-(2-(DIISOPROPYLAMINO)ETHOXY)-, HYDROCHLORIDE, 2-[2-(2-methylpropanoyl)phenoxy]ethyl-di(propan-2-yl)azanium chloride, RefChem:349578
| Molecular Formula | C18H30ClNO2 |
|---|---|
| Molecular Weight | 327.20 g/mol |
| LogP | -0.39 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 327.1965 |
| Heavy Atoms | 22 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 20809-22-7 |
|---|---|
| SMILES | CC(C)C(=O)C1=CC=CC=C1OCC[NH+](C(C)C)C(C)C.[Cl-] |
| InChIKey | XVLYXOOFLZPBKQ-UHFFFAOYSA-N |
Product Overview
Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride (CAS 20809-22-7), with molecular formula C18H30ClNO2 and molecular weight 327.20 g/mol. IUPAC: 2-[2-(2-methylpropanoyl)phenoxy]ethyl-di(propan-2-yl)azanium chloride.
Chemical Property Profile of Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride
Property Insights of Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride
The XLogP value of -0.39 indicates that Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, 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, Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, 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 Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride?
The CAS number of Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride is 20809-22-7.
What is the molecular formula of Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride?
The molecular formula of Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride is C18H30ClNO2.
What is the molecular weight of Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride?
The molecular weight of Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride is 327.20 g/mol.
Where can I buy Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride?
You can request a quote for Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isobutyrophenone, 2'-(2-(diisopropylamino)ethoxy)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.