CAS RN: 36039-36-8
2-(4-Isobutylphenyl)propan-1-ol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260630 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINI916181
36039-36-8 / 2-[4-(2-methylpropyl)phenyl]propan-1-ol
Basic Information
CAS
36039-36-8
Multi CAS
Yes
Molecular Formula
C13H20O
Molecular Weight
192.300000
Exact Mass
192.151415
InChI
InChI=1S/C13H20O/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,10-11,14H,8-9H2,1-3H3
InChIKey
IZXWIWYERZDWOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.48
TPSA
20.23
LogP / Solubility
WLOGP
2.98
MLOGP
2.62
XLogP3
3.4
Consensus LogP
3
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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