CAS RN: 35488-09-6

N-(4-Methoxyphenyl)pyridin-4-amine

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  • Product code: starshine_CAS35488-09-6
  • Purity/Analytical Methods: >99.0%
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35488-09-6 / N-(4-methoxyphenyl)pyridin-4-amine

Standard CAS: 35488-09-6 Multi CAS: No

Basic Information

CAS
35488-09-6
Multi CAS
No
Molecular Formula
C12H12N2O
Molecular Weight
200.240000
Exact Mass
200.094963
InChI
InChI=1S/C12H12N2O/c1-15-12-4-2-10(3-5-12)14-11-6-8-13-9-7-11/h2-9H,1H3,(H,13,14)
InChIKey
INXBNBZNGNIUQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.51
TPSA
34.15

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
2.4
Consensus LogP
2.57
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-1.93

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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