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CAS 92367-45-8 4-(3-Methylphenyl)but-1-ene molecular structure lightbox
CAS RN: 92367-45-8

4-(3-Methylphenyl)but-1-ene

  • Product code: SSC-206003
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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 92367-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

92367-45-8 / 1-but-3-enyl-3-methylbenzene

Standard CAS: 92367-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92367-45-8
Multi CAS
No
Molecular Formula
C11H14
Molecular Weight
146.230000
Exact Mass
146.109550
InChI
InChI=1S/C11H14/c1-3-4-7-11-8-5-6-10(2)9-11/h3,5-6,8-9H,1,4,7H2,2H3
InChIKey
AESZECWJWBRCOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
Molar refractivity
49.7
TPSA
0.0000

LogP / Solubility

WLOGP
3.11
MLOGP
2.73
XLogP3
3.7
Consensus LogP
3.18
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly 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)
-1.4

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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