CAS RN: 59302-96-4
2-(Benzofuran-2-yl)propan-2-ol
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.20250111 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS59302-96-4
- Purity/Analytical Methods: >99.0%
59302-96-4 / 2-(1-benzofuran-2-yl)propan-2-ol
Basic Information
CAS
59302-96-4
Multi CAS
No
Molecular Formula
C11H12O2
Molecular Weight
176.210000
Exact Mass
176.083730
InChI
InChI=1S/C11H12O2/c1-11(2,12)10-7-8-5-3-4-6-9(8)13-10/h3-7,12H,1-2H3
InChIKey
BXYFVUSELGSLBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.46
TPSA
33.37
LogP / Solubility
WLOGP
2.66
MLOGP
2.34
XLogP3
2.1
Consensus LogP
2.37
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91
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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