CAS RN: 932780-89-7

N-ETHYL-2,4-DIMETHYLBENZAMIDE(WXC08357)

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  • Product code: starshine_CAS932780-89-7
  • Purity/Analytical Methods: >99.0%
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932780-89-7 / N-ethyl-2,4-dimethylbenzamide

Standard CAS: 932780-89-7 Multi CAS: No

Basic Information

CAS
932780-89-7
Multi CAS
No
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
InChI
InChI=1S/C11H15NO/c1-4-12-11(13)10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3,(H,12,13)
InChIKey
HAQYKUSCMCCAAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.92
TPSA
29.1

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
2.3
Consensus LogP
2.05
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

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

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