![[2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride structure](/static/products/3103/31031-74-0.webp)
[2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride
TL;DR: [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride (CAS 31031-74-0) is a chemical compound with molecular formula C13H20ClNO2 and molecular weight 257.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride
Also Known As: Aklonine, Aklonin, Phenamacide HCl, Aklonin [German], Phenamacide hydrochloride
| Molecular Formula | C13H20ClNO2 |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | -1.44 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.11826 |
| Heavy Atoms | 17 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 31031-74-0 |
|---|---|
| SMILES | CC(C)CCOC(=O)C(C1=CC=CC=C1)[NH3+].[Cl-] |
| InChIKey | PPBQUBHHPSGLBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride (CAS 31031-74-0), with molecular formula C13H20ClNO2 and molecular weight 257.12 g/mol. IUPAC: [2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride.
Chemical Property Profile of [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride
Property Insights of [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride
The XLogP value of -1.44 indicates that [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.9 Ų, [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride 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 [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride?
The CAS number of [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride is 31031-74-0.
What is the molecular formula of [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride?
The molecular formula of [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride is C13H20ClNO2.
What is the molecular weight of [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride?
The molecular weight of [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride is 257.12 g/mol.
Where can I buy [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride?
You can request a quote for [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride?
Yes, KEHONG BIO provides custom synthesis services for [2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.