Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g
- Available purity: ≥97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 2 In Stock | Shanghai | Inquiry |
| 1g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 5g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
26059-40-5 / 2-(2-iodophenyl)ethanol
Basic Information
CAS
26059-40-5
Multi CAS
No
Molecular Formula
C8H9IO
Molecular Weight
248.060000
Exact Mass
247.969810
SMILES
C1=CC=C(C(=C1)CCO)I
InChI
InChI=1S/C8H9IO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
InChIKey
WUQBSMKQSLCUFC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.95
TPSA
20.23
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
2.1
Consensus LogP
1.85
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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