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CAS 2039-93-2 2-Phenyl-1-butene molecular structure lightbox
CAS RN: 2039-93-2

2-Phenyl-1-butene

  • Product code: SSC-095974
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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 2039-93-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2039-93-2 / but-1-en-2-ylbenzene

Standard CAS: 2039-93-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2039-93-2
Multi CAS
No
Molecular Formula
C10H12
Molecular Weight
132.200000
Exact Mass
132.093900
SMILES
CCC(=C)C1=CC=CC=C1
InChI
InChI=1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3
InChIKey
SQHOHKQMTHROSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
Molar refractivity
45.77
TPSA
0.0000

LogP / Solubility

WLOGP
3.11
MLOGP
2.73
XLogP3
3.9
Consensus LogP
3.25
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
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)
-1.32

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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