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CAS 6963-37-7 N-(2-hydroxyphenyl)propanamide molecular structure lightbox
CAS RN: 6963-37-7

N-(2-hydroxyphenyl)propanamide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS6963-37-7
  • Purity/Analytical Methods: >99.0%
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6963-37-7 / N-(2-hydroxyphenyl)propanamide

Standard CAS: 6963-37-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6963-37-7
Multi CAS
Yes
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
InChI
InChI=1S/C9H11NO2/c1-2-9(12)10-7-5-3-4-6-8(7)11/h3-6,11H,2H2,1H3,(H,10,12)
InChIKey
VIPCILFKUBQRCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
47.03
TPSA
49.33

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.2
Consensus LogP
1.49
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-2.49

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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