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CAS 56057-93-3 5-isopropenyl-2-methylpyridine molecular structure lightbox
CAS RN: 56057-93-3

5-isopropenyl-2-methylpyridine

  • Product code: SSC-164024
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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 56057-93-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

56057-93-3 / 2-methyl-5-prop-1-en-2-ylpyridine

Standard CAS: 56057-93-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56057-93-3
Multi CAS
Yes
Molecular Formula
C9H11N
Molecular Weight
133.190000
Exact Mass
133.089149
InChI
InChI=1S/C9H11N/c1-7(2)9-5-4-8(3)10-6-9/h4-6H,1H2,2-3H3
InChIKey
GJFICMVGNQQCEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
43.68
TPSA
12.89

LogP / Solubility

WLOGP
2.42
MLOGP
2.12
XLogP3
2.7
Consensus LogP
2.41
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-1.81

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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