Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2128707-85-5 / 8-fluorodibenzofuran-4-ol
Basic Information
CAS
2128707-85-5
Multi CAS
No
Molecular Formula
C12H7FO2
Molecular Weight
202.180000
Exact Mass
202.043008
SMILES
C1=CC2=C(C(=C1)O)OC3=C2C=C(C=C3)F
InChI
InChI=1S/C12H7FO2/c13-7-4-5-11-9(6-7)8-2-1-3-10(14)12(8)15-11/h1-6,14H
InChIKey
WJSLYFRQAYLUGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.34
TPSA
33.37
LogP / Solubility
WLOGP
3.43
MLOGP
3.02
XLogP3
3.4
Consensus LogP
3.28
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-1.52
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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