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CAS 7399-49-7 2-Isopropenyltoluene (stabilized with BHT) molecular structure lightbox
CAS RN: 7399-49-7

2-Isopropenyltoluene (stabilized with BHT)

  • Product code: SSC-183408
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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: ＞97%
  • 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 7399-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

7399-49-7 / 1-methyl-2-prop-1-en-2-ylbenzene

Standard CAS: 7399-49-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7399-49-7
Multi CAS
Yes
Molecular Formula
C10H12
Molecular Weight
132.200000
Exact Mass
132.093900
InChI
InChI=1S/C10H12/c1-8(2)10-7-5-4-6-9(10)3/h4-7H,1H2,2-3H3
InChIKey
OGMSGZZPTQNTIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
Molar refractivity
45.89
TPSA
0.0000

LogP / Solubility

WLOGP
3.03
MLOGP
2.66
XLogP3
3.7
Consensus LogP
3.13
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-1.38

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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