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: 0.25g, 0.1g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 0.25g | -- | 1 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 1g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
906448-92-8 / ethyl 6-hydroxy-1-benzofuran-2-carboxylate
Basic Information
CAS
906448-92-8
Multi CAS
No
Molecular Formula
C11H10O4
Molecular Weight
206.190000
Exact Mass
206.057909
InChI
InChI=1S/C11H10O4/c1-2-14-11(13)10-5-7-3-4-8(12)6-9(7)15-10/h3-6,12H,2H2,1H3
InChIKey
POMCYSYSYAUYBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.84
TPSA
59.67
LogP / Solubility
WLOGP
2.32
MLOGP
2.04
XLogP3
2.5
Consensus LogP
2.29
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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