1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone
TL;DR: 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone (CAS 56917-44-3) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone
Also Known As: Benzylphenylephrone, Phenylephrine EP Impurity E, 1-(3-Hydroxyphenyl)-2-[methyl(phenylmethyl)amino]ethan-1-one, 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone, 2-(Benzyl(methyl)amino)-1-(3-hydroxyphenyl)ethanone
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 56917-44-3 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)CC(=O)C2=CC(=CC=C2)O |
| InChIKey | DWMWFFWZJCCKCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone (CAS 56917-44-3), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: 2-[benzyl(methyl)amino]-1-(3-hydroxyphenyl)ethanone.
Chemical Property Profile of 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone
Property Insights of 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone. With a topological polar surface area (TPSA) of 40.5 Ų, 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone 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 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone?
The CAS number of 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone is 56917-44-3.
What is the molecular formula of 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone?
The molecular formula of 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone is C16H17NO2.
What is the molecular weight of 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone?
The molecular weight of 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone is 255.13 g/mol.
Where can I buy 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone?
You can request a quote for 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone 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)-2-(methyl(phenylmethyl)amino)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Hydroxyphenyl)-2-(methyl(phenylmethyl)amino)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.