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CAS 20919-36-2 N-BENZYL-2-HYDROXY-BENZAMIDE molecular structure lightbox
CAS RN: 20919-36-2

N-BENZYL-2-HYDROXY-BENZAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260701 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS20919-36-2
  • Purity/Analytical Methods: >99.0%
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20919-36-2 / N-benzyl-2-hydroxybenzamide

Standard CAS: 20919-36-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20919-36-2
Multi CAS
No
Molecular Formula
C14H13NO2
Molecular Weight
227.260000
Exact Mass
227.094629
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C14H13NO2/c16-13-9-5-4-8-12(13)14(17)15-10-11-6-2-1-3-7-11/h1-9,16H,10H2,(H,15,17)
InChIKey
FVJQVTFCHRSIMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.72
TPSA
49.33

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
2.8
Consensus LogP
2.39
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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