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CAS 1395034-81-7 3-(propan-2-yloxy)pyridin-4-amine molecular structure lightbox
CAS RN: 1395034-81-7

3-(propan-2-yloxy)pyridin-4-amine

  • Product code: SSC-050141
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1395034-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1395034-81-7 / 3-propan-2-yloxypyridin-4-amine

Standard CAS: 1395034-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1395034-81-7
Multi CAS
No
Molecular Formula
C8H12N2O
Molecular Weight
152.190000
Exact Mass
152.094963
SMILES
CC(C)OC1=C(C=CN=C1)N
InChI
InChI=1S/C8H12N2O/c1-6(2)11-8-5-10-4-3-7(8)9/h3-6H,1-2H3,(H2,9,10)
InChIKey
BECODDZYPZZGTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.41
TPSA
48.14

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
0.9
Consensus LogP
1.21
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-2.62

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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