Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride
TL;DR: Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride (CAS 2970-80-1) is a chemical compound with molecular formula C11H14ClNO3 and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethanone;hydrochloride
Also Known As: 1-(1,3-Benzodioxol-5-yl)-2-(dimethylamino)ethanone hydrochloride, Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethanone,hydrochloride, 1-(2H-1,3-Benzodioxol-5-yl)-2-(dimethylamino)ethan-1-one--hydrogen chloride (1/1), RefChem:340991
| Molecular Formula | C11H14ClNO3 |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 1.5814 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.06622 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 2970-80-1 |
|---|---|
| SMILES | CN(C)CC(=O)C1=CC2=C(C=C1)OCO2.Cl |
| InChIKey | FEEQAAASFSUHRC-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride (CAS 2970-80-1), with molecular formula C11H14ClNO3 and molecular weight 243.07 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethanone;hydrochloride.
Chemical Property Profile of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride
Property Insights of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride
The XLogP value of 1.5814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride. With a topological polar surface area (TPSA) of 38.8 Ų, Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride has 1 hydrogen bond donor(s) and 4 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 Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride?
The CAS number of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride is 2970-80-1.
What is the molecular formula of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride?
The molecular formula of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride is C11H14ClNO3.
What is the molecular weight of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride?
The molecular weight of Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride is 243.07 g/mol.
Where can I buy Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride?
You can request a quote for Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.