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CAS 893738-40-4 5-(3-METHYLPHENYL)-2-PYRIDINAMINE molecular structure lightbox
CAS RN: 893738-40-4

5-(3-METHYLPHENYL)-2-PYRIDINAMINE

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Batchno.20260209 100mg In stock Inquiry
  • Product code: starshine_CAS893738-40-4
  • Purity/Analytical Methods: >99.0%
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893738-40-4 / 5-(3-methylphenyl)pyridin-2-amine

Standard CAS: 893738-40-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893738-40-4
Multi CAS
No
Molecular Formula
C12H12N2
Molecular Weight
184.240000
Exact Mass
184.100048
InChI
InChI=1S/C12H12N2/c1-9-3-2-4-10(7-9)11-5-6-12(13)14-8-11/h2-8H,1H3,(H2,13,14)
InChIKey
LQDSRLVJJZYKEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.82
TPSA
38.91

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

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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