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CAS 28664-62-2 2-phenoxypyridin-3-amine molecular structure lightbox
CAS RN: 28664-62-2

2-phenoxypyridin-3-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260413 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS28664-62-2
  • Purity/Analytical Methods: >99.0%
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28664-62-2 / 2-phenoxypyridin-3-amine

Standard CAS: 28664-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28664-62-2
Multi CAS
No
Molecular Formula
C11H10N2O
Molecular Weight
186.210000
Exact Mass
186.079313
SMILES
C1=CC=C(C=C1)OC2=C(C=CC=N2)N
InChI
InChI=1S/C11H10N2O/c12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h1-8H,12H2
InChIKey
GITFEFNVRNPOHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.17
TPSA
48.14

LogP / Solubility

WLOGP
2.46
MLOGP
2.16
XLogP3
2
Consensus LogP
2.21
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-2.11

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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