依他芬酮
TL;DR: 依他芬酮 (CAS 90-54-0) is a chemical compound with molecular formula C21H27NO2 and molecular weight 325.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依他芬酮
1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one
Also Known As: Etafenone, Etafenona, Etafenon, Etafenonum, Baxacor
| Molecular Formula | C21H27NO2 |
|---|---|
| Molecular Weight | 325.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 325.2042 |
| Heavy Atoms | 24 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 90-54-0 |
|---|---|
| SMILES | CCN(CC)CCOC1=CC=CC=C1C(=O)CCC2=CC=CC=C2 |
| InChIKey | OEGDFSLNGABBKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依他芬酮 (CAS 90-54-0), with molecular formula C21H27NO2 and molecular weight 325.20 g/mol. IUPAC: 1-[2-[2-(diethylamino)ethoxy]phenyl]-3-phenylpropan-1-one.
Chemical Property Profile of 依他芬酮
Property Insights of 依他芬酮
The XLogP value of 4.2 indicates that 依他苯酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 依他芬酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 依他苯酮 has 0 hydrogen bond donor(s) and 3 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 依他苯酮?
The CAS number of 依他苯酮 is 90-54-0.
What is the molecular formula of 依他苯酮?
The molecular formula of 依他苯酮 is C21H27NO2.
What is the molecular weight of 依他苯酮?
The molecular weight of 依他苯酮 is 325.20 g/mol.
Where can I buy 依他苯酮?
You can request a quote for 依他苯酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依他苯酮?
Yes, KEHONG BIO provides custom synthesis services for 依他苯酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.