[email protected]
CAS 17224-17-8 N-(4-Ethoxybenzylidene)-4-acetylaniline molecular structure lightbox
CAS RN: 17224-17-8

N-(4-Ethoxybenzylidene)-4-acetylaniline

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260407 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: ICTE0254
  • Purity/Analytical Methods: >98.0%(GC)
GET A QUOTE

17224-17-8 / 1-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]ethanone

Standard CAS: 17224-17-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17224-17-8
Multi CAS
No
Molecular Formula
C17H17NO2
Molecular Weight
267.320000
Exact Mass
267.125929
SMILES
CCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C17H17NO2/c1-3-20-17-10-4-14(5-11-17)12-18-16-8-6-15(7-9-16)13(2)19/h4-12H,3H2,1-2H3
InChIKey
HCDYNBNSFSMUIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
81.31
TPSA
38.66

LogP / Solubility

WLOGP
4.04
MLOGP
3.56
XLogP3
3.2
Consensus LogP
3.6
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Customers Also Viewed

Get In Touch

Contact Us