3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride
TL;DR: 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride (CAS 16899-81-3) is a chemical compound with molecular formula C11H16ClNO3 and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-propan-2-ylazanium chloride
Also Known As: Isoproterenone hydrochloride, 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride, 3,4-Dihydroxy-alpha-(isopropylamino)acetophenone hydrochloride, 4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile, [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-propan-2-ylazanium;chloride
| Molecular Formula | C11H16ClNO3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | -2.74 |
| Topological Polar Surface Area | 74.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.08188 |
| Heavy Atoms | 16 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 16899-81-3 |
|---|---|
| SMILES | CC(C)[NH2+]CC(=O)C1=CC(=C(C=C1)O)O.[Cl-] |
| InChIKey | IUNGEEAXDFWWSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride (CAS 16899-81-3), with molecular formula C11H16ClNO3 and molecular weight 245.08 g/mol. IUPAC: [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-propan-2-ylazanium chloride.
Chemical Property Profile of 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride
Property Insights of 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride
The XLogP value of -2.74 indicates that 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride. Following Lipinski's Rule of Five, 3',4'-Dihydroxy-2-(isopropylamino)acetophenone 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 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride?
The CAS number of 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride is 16899-81-3.
What is the molecular formula of 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride?
The molecular formula of 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride is C11H16ClNO3.
What is the molecular weight of 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride?
The molecular weight of 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride is 245.08 g/mol.
Where can I buy 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride?
You can request a quote for 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.