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CAS 579-58-8 N-Methyl-4′-hydroxyacetoanilide molecular structure lightbox
CAS RN: 579-58-8

N-Methyl-4′-hydroxyacetoanilide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS579-58-8
  • Purity/Analytical Methods: >99.0%
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579-58-8 / N-(4-hydroxyphenyl)-N-methylacetamide

Standard CAS: 579-58-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
579-58-8
Multi CAS
Yes
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
InChI
InChI=1S/C9H11NO2/c1-7(11)10(2)8-3-5-9(12)6-4-8/h3-6,12H,1-2H3
InChIKey
STOAGEBURGENGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.19
TPSA
40.54

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
0.6
Consensus LogP
1.06
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-2.75

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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