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CAS 63444-56-4 p-Isobutylstyrene molecular structure lightbox
CAS RN: 63444-56-4

p-Isobutylstyrene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260607 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS63444-56-4
  • Purity/Analytical Methods: >99.0%
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63444-56-4 / 1-ethenyl-4-(2-methylpropyl)benzene

Standard CAS: 63444-56-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63444-56-4
Multi CAS
No
Molecular Formula
C12H16
Molecular Weight
160.250000
Exact Mass
160.125201
InChI
InChI=1S/C12H16/c1-4-11-5-7-12(8-6-11)9-10(2)3/h4-8,10H,1,9H2,2-3H3
InChIKey
VTMSSJKVUVVWNJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
Molar refractivity
55.08
TPSA
0.0000

LogP / Solubility

WLOGP
3.53
MLOGP
3.1
XLogP3
4.3
Consensus LogP
3.64
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-1.19

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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