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CAS 104885-51-0 2(1H)-Pyridinone,4-amino-5-ethyl-(9CI) molecular structure lightbox
CAS RN: 104885-51-0

2(1H)-Pyridinone,4-amino-5-ethyl-(9CI)

  • Product code: SSC-006607
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104885-51-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 1 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

104885-51-0 / 4-amino-5-ethyl-1H-pyridin-2-one

2(1H)-Pyridinone, 4-amino-5-ethyl- | 4-Amino-5-ethylpyridin-2(1H)-one | 4-AMINO-5-ETHYL-1H-PYRIDIN-2-ONE

Standard CAS: 104885-51-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
104885-51-0
Multi CAS
No
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
SMILES
CCC1=CNC(=O)C=C1N
InChI
InChI=1S/C7H10N2O/c1-2-5-4-9-7(10)3-6(5)8/h3-4H,2H2,1H3,(H3,8,9,10)
InChIKey
QSMRMKAEISVVHE-UHFFFAOYSA-N
Synonyms
2(1H)-Pyridinone, 4-amino-5-ethyl- 4-Amino-5-ethylpyridin-2(1H)-one 4-AMINO-5-ETHYL-1H-PYRIDIN-2-ONE 4-amino-5-ethylpyridin-2-ol SCHEMBL18398266

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.85
TPSA
58.88

LogP / Solubility

WLOGP
0.52
MLOGP
0.45
XLogP3
-0.4
Consensus LogP
0.19
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
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)
-3.19

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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