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CAS 142896-12-6 Ethanone, 1-[2-(1-methylethenyl)-4-pyridinyl]- (9CI) molecular structure lightbox
CAS RN: 142896-12-6

Ethanone, 1-[2-(1-methylethenyl)-4-pyridinyl]- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-054175
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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: 0.25g
  • 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 142896-12-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

142896-12-6 / 1-(2-prop-1-en-2-yl-4-pyridinyl)ethanone

Standard CAS: 142896-12-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
142896-12-6
Multi CAS
No
Molecular Formula
C10H11NO
Molecular Weight
161.200000
Exact Mass
161.084064
SMILES
CC(=C)C1=NC=CC(=C1)C(=O)C
InChI
InChI=1S/C10H11NO/c1-7(2)10-6-9(8(3)12)4-5-11-10/h4-6H,1H2,2-3H3
InChIKey
RYNRLVOZUDLPQK-UHFFFAOYSA-N

Physical Properties

Density
1.007-1.009
Physical Description
Light yellow clear liquid; fermented herbal green aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
48.95
TPSA
29.96

LogP / Solubility

WLOGP
2.32
MLOGP
2.03
XLogP3
2
Consensus LogP
2.12
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.06

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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