![CAS 796-77-0 4-[2-(diethylamino)ethoxy]benzophenone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/796-77-0.gif)
CAS RN: 796-77-0
4-[2-(diethylamino)ethoxy]benzophenone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251129 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS796-77-0
- Purity/Analytical Methods: >99.0%
796-77-0 / [4-[2-(diethylamino)ethoxy]phenyl]-phenylmethanone
Basic Information
CAS
796-77-0
Multi CAS
Yes
Molecular Formula
C19H23NO2
Molecular Weight
297.400000
Exact Mass
297.172879
InChI
InChI=1S/C19H23NO2/c1-3-20(4-2)14-15-22-18-12-10-17(11-13-18)19(21)16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3
InChIKey
GSTOOYJSPRJGDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
89.6
TPSA
29.54
LogP / Solubility
WLOGP
3.64
MLOGP
3.21
XLogP3
4
Consensus LogP
3.62
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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