Ethanone, 2-(diethylamino)-1-phenyl-
TL;DR: Ethanone, 2-(diethylamino)-1-phenyl- (CAS 4061-29-4) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)-1-phenylethanone
Also Known As: N,N-diethylphenacylamine, 2-(diethylamino)-1-phenylethanone, alpha-(Diethylamino)acetophenone, Ethanone, 2-(diethylamino)-1-phenyl-, 2-diethylamino-1-phenyl-ethanone
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 4061-29-4 |
|---|---|
| SMILES | CCN(CC)CC(=O)C1=CC=CC=C1 |
| InChIKey | KOTFYSVFYYKCRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 2-(diethylamino)-1-phenyl- (CAS 4061-29-4), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 2-(diethylamino)-1-phenylethanone.
Chemical Property Profile of Ethanone, 2-(diethylamino)-1-phenyl-
Property Insights of Ethanone, 2-(diethylamino)-1-phenyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 2-(diethylamino)-1-phenyl-. With a topological polar surface area (TPSA) of 20.3 Ų, Ethanone, 2-(diethylamino)-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 2-(diethylamino)-1-phenyl- has 0 hydrogen bond donor(s) and 2 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-phenyl-?
The CAS number of Ethanone, 2-(diethylamino)-1-phenyl- is 4061-29-4.
What is the molecular formula of Ethanone, 2-(diethylamino)-1-phenyl-?
The molecular formula of Ethanone, 2-(diethylamino)-1-phenyl- is C12H17NO.
What is the molecular weight of Ethanone, 2-(diethylamino)-1-phenyl-?
The molecular weight of Ethanone, 2-(diethylamino)-1-phenyl- is 191.13 g/mol.
Where can I buy Ethanone, 2-(diethylamino)-1-phenyl-?
You can request a quote for Ethanone, 2-(diethylamino)-1-phenyl- 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-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-(diethylamino)-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.