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CAS 28141-13-1 3-Cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridone molecular structure lightbox
CAS RN: 28141-13-1

3-Cyano-1-ethyl-6-hydroxy-4-methyl-2-pyridone

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251202 1g In stock Inquiry
Batchno.20260528 5g In stock Inquiry
  • Product code: SSC-128858
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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: 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 28141-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

28141-13-1 / 1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile

Standard CAS: 28141-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28141-13-1
Multi CAS
No
Molecular Formula
C9H10N2O2
Molecular Weight
178.190000
Exact Mass
178.074228
SMILES
CCN1C(=O)C=C(C(=C1O)C#N)C
InChI
InChI=1S/C9H10N2O2/c1-3-11-8(12)4-6(2)7(5-10)9(11)13/h4,13H,3H2,1-2H3
InChIKey
YSNMMQRIPFUHAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.49
TPSA
66.02

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
0.5
Consensus LogP
0.64
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.27

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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