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CAS 167613-59-4 N-(4-Aminophenyl)-2-hydroxyacetamide molecular structure lightbox
CAS RN: 167613-59-4

N-(4-Aminophenyl)-2-hydroxyacetamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS167613-59-4
  • Purity/Analytical Methods: >99.0%
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167613-59-4 / N-(4-aminophenyl)-2-hydroxyacetamide

Standard CAS: 167613-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
167613-59-4
Multi CAS
No
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
SMILES
C1=CC(=CC=C1N)NC(=O)CO
InChI
InChI=1S/C8H10N2O2/c9-6-1-3-7(4-2-6)10-8(12)5-11/h1-4,11H,5,9H2,(H,10,12)
InChIKey
GTHQXNIEPWGIMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
46.57
TPSA
75.35

LogP / Solubility

WLOGP
0.2
MLOGP
0.17
Consensus LogP
0.12
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3.59

Drug-likeness / Medicinal Chemistry

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

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