p-Diethylaminoacetophenone
TL;DR: p-Diethylaminoacetophenone (CAS 5520-66-1) 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.
1-[4-(diethylamino)phenyl]ethanone
Also Known As: p-Diethylaminoacetophenone, 4'-Diethylaminoacetophenone, 4-Diethylaminoacetophenone, 1-[4-(Diethylamino)phenyl]ethanone, 1-(4-(Diethylamino)phenyl)ethanone
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 5520-66-1 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=O)C |
| InChIKey | HMIBQFXWSUBFTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Diethylaminoacetophenone (CAS 5520-66-1), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 1-[4-(diethylamino)phenyl]ethanone.
Chemical Property Profile of p-Diethylaminoacetophenone
Property Insights of p-Diethylaminoacetophenone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Diethylaminoacetophenone. With a topological polar surface area (TPSA) of 20.3 Ų, p-Diethylaminoacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Diethylaminoacetophenone 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 p-Diethylaminoacetophenone?
The CAS number of p-Diethylaminoacetophenone is 5520-66-1.
What is the molecular formula of p-Diethylaminoacetophenone?
The molecular formula of p-Diethylaminoacetophenone is C12H17NO.
What is the molecular weight of p-Diethylaminoacetophenone?
The molecular weight of p-Diethylaminoacetophenone is 191.13 g/mol.
Where can I buy p-Diethylaminoacetophenone?
You can request a quote for p-Diethylaminoacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Diethylaminoacetophenone?
Yes, KEHONG BIO provides custom synthesis services for p-Diethylaminoacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.