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CAS 13143-47-0 1-(4-AMINO-PHENYL)-1H-PYRIDIN-2-ONE molecular structure lightbox
CAS RN: 13143-47-0

1-(4-AMINO-PHENYL)-1H-PYRIDIN-2-ONE

  • Product code: SSC-038282
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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: 1g
  • Available purity: ＞97%
  • 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 13143-47-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

13143-47-0 / 1-(4-aminophenyl)pyridin-2-one

Standard CAS: 13143-47-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13143-47-0
Multi CAS
No
Molecular Formula
C11H10N2O
Molecular Weight
186.210000
Exact Mass
186.079313
SMILES
C1=CC(=O)N(C=C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H10N2O/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14/h1-8H,12H2
InChIKey
LXFHLDJQBIZFOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.45
TPSA
48.02

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.3
Consensus LogP
1.32
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.85

Drug-likeness / Medicinal Chemistry

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

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