Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1)
TL;DR: Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1) (CAS 62-13-5) is a chemical compound with molecular formula C9H12ClNO3 and molecular weight 217.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
Also Known As: Adrenalone hydrochloride, ADRENALONE HCL, Stryphnonasal, Adrenone hydrochloride, Stryphnasal
| Molecular Formula | C9H12ClNO3 |
|---|---|
| Molecular Weight | 217.05 g/mol |
| LogP | 0.92 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.05057 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 62-13-5 |
|---|---|
| SMILES | CNCC(=O)C1=CC(=C(C=C1)O)O.Cl |
| InChIKey | CSRRBDMYOUQTCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1) (CAS 62-13-5), with molecular formula C9H12ClNO3 and molecular weight 217.05 g/mol. IUPAC: 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone;hydrochloride.
Chemical Property Profile of Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1)
Property Insights of Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1)
The XLogP value of 0.92 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1). The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1). Following Lipinski's Rule of Five, Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1) has 4 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-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1)?
The CAS number of Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1) is 62-13-5.
What is the molecular formula of Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1)?
The molecular formula of Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1) is C9H12ClNO3.
What is the molecular weight of Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1)?
The molecular weight of Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1) is 217.05 g/mol.
Where can I buy Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1)?
You can request a quote for Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.