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CAS 1523618-09-8 4-AMino-1-ethylpyridin-2(1H)-one hydrochloride molecular structure lightbox
CAS RN: 1523618-09-8

4-AMino-1-ethylpyridin-2(1H)-one hydrochloride

  • Product code: SSC-062226
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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: ≥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 1523618-09-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1523618-09-8 / 4-amino-1-ethylpyridin-2-one;hydrochloride

Standard CAS: 1523618-09-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1523618-09-8
Multi CAS
No
Molecular Formula
C7H11ClN2O
Molecular Weight
174.630000
Exact Mass
174.055991
SMILES
CCN1C=CC(=CC1=O)N.Cl
InChI
InChI=1S/C7H10N2O.ClH/c1-2-9-4-3-6(8)5-7(9)10;/h3-5H,2,8H2,1H3;1H
InChIKey
KCKVXBDAFNNOQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.04
TPSA
48.02

LogP / Solubility

WLOGP
0.87
MLOGP
0.76
XLogP3
0.87
Consensus LogP
0.83
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
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)
-3.17

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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