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CAS 6711-33-7 N-Acetyl-N-hydroxyacetamide molecular structure lightbox
CAS RN: 6711-33-7

N-Acetyl-N-hydroxyacetamide

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  • Product code: starshine_CAS6711-33-7
  • Purity/Analytical Methods: >99.0%
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6711-33-7 / N-acetyl-N-hydroxyacetamide

Standard CAS: 6711-33-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6711-33-7
Multi CAS
No
Molecular Formula
C4H7NO3
Molecular Weight
117.100000
Exact Mass
117.042593
InChI
InChI=1S/C4H7NO3/c1-3(6)5(8)4(2)7/h8H,1-2H3
InChIKey
PRIMJAQHWZOVPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
24.99
TPSA
57.61

LogP / Solubility

WLOGP
-0.23
MLOGP
-0.21
XLogP3
-1
Consensus LogP
-0.48
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
-0.35
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.23
Class (SILICOS-IT)
Very 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)
-3.6

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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