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CAS 2318-82-3 N-Hydroxy-4-methylbenzamide molecular structure lightbox
CAS RN: 2318-82-3

N-Hydroxy-4-methylbenzamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250508 50mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2318-82-3
  • Purity/Analytical Methods: >99.0%
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2318-82-3 / N-hydroxy-4-methylbenzamide

Standard CAS: 2318-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2318-82-3
Multi CAS
No
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
SMILES
CC1=CC=C(C=C1)C(=O)NO
InChI
InChI=1S/C8H9NO2/c1-6-2-4-7(5-3-6)8(10)9-11/h2-5,11H,1H3,(H,9,10)
InChIKey
SFSSMGSFESHVQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.43
TPSA
49.33

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
0.6
Consensus LogP
0.89
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-2.85

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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