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: 5g, 0.25g, 25g, 0.1g, 1g, 10g
- Available purity: ≥97%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 4 In Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 3 In Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 3 In Stock | Beijing | Inquiry |
| 0.1g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 1g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
872191-30-5 / 6-(trifluoromethyl)-1-benzofuran-3-ol
Basic Information
CAS
872191-30-5
Multi CAS
Yes
Molecular Formula
C9F3H5O2
Molecular Weight
202.130000
Exact Mass
202.024164
InChI
InChI=1S/C9H5F3O2/c10-9(11,12)5-1-2-6-7(13)4-14-8(6)3-5/h1-3H,4H2
InChIKey
NYPVXCUFWKLCLX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.88
TPSA
33.37
LogP / Solubility
WLOGP
3.16
MLOGP
2.78
XLogP3
2.9
Consensus LogP
2.95
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-1.71
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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