CAS RN: 74052-89-4

N-(4-hydroxyphenyl)pivalaMide

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  • Product code: starshine_CAS74052-89-4
  • Purity/Analytical Methods: >99.0%
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74052-89-4 / N-(4-hydroxyphenyl)-2,2-dimethylpropanamide

Standard CAS: 74052-89-4 Multi CAS: No

Basic Information

CAS
74052-89-4
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
InChI
InChI=1S/C11H15NO2/c1-11(2,3)10(14)12-8-4-6-9(13)7-5-8/h4-7,13H,1-3H3,(H,12,14)
InChIKey
FSWKNXQMWWGBEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.19
TPSA
49.33

LogP / Solubility

WLOGP
2.38
MLOGP
2.09
XLogP3
1.6
Consensus LogP
2.02
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-2.21

Drug-likeness / Medicinal Chemistry

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

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