CAS RN: 2388-14-9
p-isopropyl-alpha-methylstyrene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250203 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2388-14-9
- Purity/Analytical Methods: >99.0%
2388-14-9 / 1-propan-2-yl-4-prop-1-en-2-ylbenzene
Basic Information
CAS
2388-14-9
Multi CAS
No
Molecular Formula
C12H16
Molecular Weight
160.250000
Exact Mass
160.125201
SMILES
CC(C)C1=CC=C(C=C1)C(=C)C
InChI
InChI=1S/C12H16/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8,10H,1H2,2-4H3
InChIKey
XMCNZCCURGYSDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
Molar refractivity
55.24
TPSA
0.0000
LogP / Solubility
WLOGP
3.84
MLOGP
3.38
XLogP3
4.4
Consensus LogP
3.87
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.97
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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