Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride
TL;DR: Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride (CAS 16899-83-5) is a chemical compound with molecular formula C10H14ClNO3 and molecular weight 231.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-dimethylazanium chloride
Also Known As: SKI 28467, U 24274A, 2-Dimethylamino-3',4'-dihydroxyacetophenone hydrochloride, 1-(3,4-Dihydroxyphenyl)-2-(dimethylamino)ethanone hydrochloride, Acetophenone, 2-(dimethylamino)-3',4'-dihydroxy-, hydrochloride
| Molecular Formula | C10H14ClNO3 |
|---|---|
| Molecular Weight | 231.07 g/mol |
| LogP | -3.57 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.06622 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 16899-83-5 |
|---|---|
| SMILES | C[NH+](C)CC(=O)C1=CC(=C(C=C1)O)O.[Cl-] |
| InChIKey | LVRPQCAWIVYJTP-UHFFFAOYSA-N |
Product Overview
Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride (CAS 16899-83-5), with molecular formula C10H14ClNO3 and molecular weight 231.07 g/mol. IUPAC: [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-dimethylazanium chloride.
Chemical Property Profile of Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride
Property Insights of Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride
The XLogP value of -3.57 indicates that Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride. Following Lipinski's Rule of Five, Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride has 3 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 Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride?
The CAS number of Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride is 16899-83-5.
What is the molecular formula of Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride?
The molecular formula of Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride is C10H14ClNO3.
What is the molecular weight of Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride?
The molecular weight of Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride is 231.07 g/mol.
Where can I buy Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride?
You can request a quote for Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 2-dimethylamino-3',4'-dihydroxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.