Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride
TL;DR: Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride (CAS 20809-18-1) is a chemical compound with molecular formula C17H28ClNO2 and molecular weight 313.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[4-(3-methylbutanoyl)phenoxy]ethyl]azanium chloride
Also Known As: Fluoromethylsulfonylbenzene, ISOVALEROPHENONE, 4'-(2-(DIETHYLAMINO)ETHOXY)-, HYDROCHLORIDE, 4-Isovaleryl-beta-(N,N-diethyl)phenoxyethylamine, hydrochloride, diethyl-[2-[4-(3-methylbutanoyl)phenoxy]ethyl]azanium chloride, diethyl-[2-[4-(3-methylbutanoyl)phenoxy]ethyl]azanium,chloride
| Molecular Formula | C17H28ClNO2 |
|---|---|
| Molecular Weight | 313.18 g/mol |
| LogP | -0.78 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 313.18085 |
| Heavy Atoms | 21 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 20809-18-1 |
|---|---|
| SMILES | CC[NH+](CC)CCOC1=CC=C(C=C1)C(=O)CC(C)C.[Cl-] |
| InChIKey | JSDLKEFDROPWAG-UHFFFAOYSA-N |
Product Overview
Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride (CAS 20809-18-1), with molecular formula C17H28ClNO2 and molecular weight 313.18 g/mol. IUPAC: diethyl-[2-[4-(3-methylbutanoyl)phenoxy]ethyl]azanium chloride.
Chemical Property Profile of Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride
Property Insights of Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride
The XLogP value of -0.78 indicates that Isovalerophenone, 4'-(2-(diethylamino)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, Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isovalerophenone, 4'-(2-(diethylamino)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 Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride?
The CAS number of Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride is 20809-18-1.
What is the molecular formula of Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride?
The molecular formula of Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride is C17H28ClNO2.
What is the molecular weight of Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride?
The molecular weight of Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride is 313.18 g/mol.
Where can I buy Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride?
You can request a quote for Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isovalerophenone, 4'-(2-(diethylamino)ethoxy)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.