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CAS 1196152-08-5 4-Ethynylpyridin-2(1H)-one molecular structure lightbox
CAS RN: 1196152-08-5

4-Ethynylpyridin-2(1H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250116 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020203
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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 1196152-08-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1196152-08-5 / 4-ethynyl-1H-pyridin-2-one

4-Ethynylpyridin-2(1H)-one | 4-ethynylpyridin-2-ol | 4-ethynyl-1H-pyridin-2-one

Standard CAS: 1196152-08-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196152-08-5
Multi CAS
No
Molecular Formula
C7H5NO
Molecular Weight
119.120000
Exact Mass
119.037114
SMILES
C#CC1=CC(=O)NC=C1
InChI
InChI=1S/C7H5NO/c1-2-6-3-4-8-7(9)5-6/h1,3-5H,(H,8,9)
InChIKey
PWWRIYINHRKVFL-UHFFFAOYSA-N
Synonyms
4-Ethynylpyridin-2(1H)-one 4-ethynylpyridin-2-ol 4-ethynyl-1H-pyridin-2-one 4-ethynyl-1,2-dihydropyridin-2-one MFCD31697547

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35
TPSA
32.86

LogP / Solubility

WLOGP
0.36
MLOGP
0.3
Consensus LogP
0.22
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very 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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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