1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride
TL;DR: 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride (CAS 55845-90-4) is a chemical compound with molecular formula C17H20ClNO2 and molecular weight 305.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride
Also Known As: Etilefrone HCL, Etilefrine Impurity 1, Etilefrone hydrochloride, Etilefrine EP Impurity D HCl, 1-(3-Hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride
| Molecular Formula | C17H20ClNO2 |
|---|---|
| Molecular Weight | 305.12 g/mol |
| LogP | 3.52 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.11826 |
| Heavy Atoms | 21 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 55845-90-4 |
|---|---|
| SMILES | CCN(CC1=CC=CC=C1)CC(=O)C2=CC(=CC=C2)O.Cl |
| InChIKey | SKILLULCQGKLNZ-UHFFFAOYSA-N |
Product Overview
1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride (CAS 55845-90-4), with molecular formula C17H20ClNO2 and molecular weight 305.12 g/mol. IUPAC: 2-[benzyl(ethyl)amino]-1-(3-hydroxyphenyl)ethanone;hydrochloride.
Chemical Property Profile of 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride
Property Insights of 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride
The XLogP value of 3.52 indicates that 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride has 2 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 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride?
The CAS number of 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride is 55845-90-4.
What is the molecular formula of 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride?
The molecular formula of 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride is C17H20ClNO2.
What is the molecular weight of 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride?
The molecular weight of 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride is 305.12 g/mol.
Where can I buy 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride?
You can request a quote for 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-hydroxyphenyl)-1-oxo-2-(N-benzyl-N-ethyl)aminoethane hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.