CAS RN: 83493-63-4
2-(4-Ethoxyphenyl)-2-methylpropanol
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.20251026 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTE0730
- Purity/Analytical Methods: >98.0%(GC)
83493-63-4 / 2-(4-ethoxyphenyl)-2-methylpropan-1-ol
Basic Information
CAS
83493-63-4
Multi CAS
No
Molecular Formula
C12H18O2
Molecular Weight
194.270000
Exact Mass
194.130680
InChI
InChI=1S/C12H18O2/c1-4-14-11-7-5-10(6-8-11)12(2,3)9-13/h5-8,13H,4,9H2,1-3H3
InChIKey
OZEZBKUHAGFQME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.72
TPSA
29.46
LogP / Solubility
WLOGP
2.36
MLOGP
2.07
XLogP3
2.7
Consensus LogP
2.38
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.36
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)
-2.23
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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