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CAS 941868-25-3 1-(5-amino-2-methylphenyl)piperidin-2-one molecular structure lightbox
CAS RN: 941868-25-3

1-(5-amino-2-methylphenyl)piperidin-2-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250301 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS941868-25-3
  • Purity/Analytical Methods: >99.0%
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941868-25-3 / 1-(5-amino-2-methylphenyl)piperidin-2-one

Standard CAS: 941868-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
941868-25-3
Multi CAS
No
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
InChI
InChI=1S/C12H16N2O/c1-9-5-6-10(13)8-11(9)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7,13H2,1H3
InChIKey
ROFVFYUZNNIHNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.8
TPSA
46.33

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
1.4
Consensus LogP
1.78
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.48

Drug-likeness / Medicinal Chemistry

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

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