CAS RN: 75268-14-3

4-hydroxy-N-(2-hydroxyethyl)benzamide

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  • Product code: starshine_CAS75268-14-3
  • Purity/Analytical Methods: >99.0%
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75268-14-3 / 4-hydroxy-N-(2-hydroxyethyl)benzamide

Standard CAS: 75268-14-3 Multi CAS: No

Basic Information

CAS
75268-14-3
Multi CAS
No
Molecular Formula
C9H11NO3
Molecular Weight
181.190000
Exact Mass
181.073893
InChI
InChI=1S/C9H11NO3/c11-6-5-10-9(13)7-1-3-8(12)4-2-7/h1-4,11-12H,5-6H2,(H,10,13)
InChIKey
KSTDBMBMMLISJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
47.53
TPSA
69.56

LogP / Solubility

WLOGP
0.11
MLOGP
0.1
XLogP3
-0.2
Consensus LogP
0.0000
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
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)
-3.74

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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