Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride
TL;DR: Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride (CAS 71595-23-8) is a chemical compound with molecular formula C12H18ClNO3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)-1-(3,4-dihydroxyphenyl)ethanone;hydrochloride
Also Known As: Acetophenone,4'-dihydroxy-, hydrochloride, Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride, 2-(Diethylamino)-1-(3,4-dihydroxyphenyl)ethanone hydrochloride, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)ethanone, alpha-Diethylamino-3,4-dihydroxyacetophenone, hydrochloride
| Molecular Formula | C12H18ClNO3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 2.0441 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.09753 |
| Heavy Atoms | 17 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 71595-23-8 |
|---|---|
| SMILES | CCN(CC)CC(=O)C1=CC(=C(C=C1)O)O.Cl |
| InChIKey | UGWLTAYGTKUEQT-UHFFFAOYSA-N |
Product Overview
Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride (CAS 71595-23-8), with molecular formula C12H18ClNO3 and molecular weight 259.10 g/mol. IUPAC: 2-(diethylamino)-1-(3,4-dihydroxyphenyl)ethanone;hydrochloride.
Chemical Property Profile of Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride
Property Insights of Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride
The XLogP value of 2.0441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride. Following Lipinski's Rule of Five, Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, 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 Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride?
The CAS number of Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride is 71595-23-8.
What is the molecular formula of Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride?
The molecular formula of Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride is C12H18ClNO3.
What is the molecular weight of Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride?
The molecular weight of Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride is 259.10 g/mol.
Where can I buy Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride?
You can request a quote for Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-(diethylamino)-1-(3,4-dihydroxyphenyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.