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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
840501-15-7 / (4-amino-2-fluorophenyl)methanol
Basic Information
CAS
840501-15-7
Multi CAS
No
Molecular Formula
C7FH8NO
Molecular Weight
141.140000
Exact Mass
141.058992
InChI
InChI=1S/C7H8FNO/c8-7-3-6(9)2-1-5(7)4-10/h1-3,10H,4,9H2
InChIKey
QXWJNSZYNRUFPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.74
TPSA
46.25
LogP / Solubility
WLOGP
0.9
MLOGP
0.79
XLogP3
0.5
Consensus LogP
0.73
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
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
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 840504-21-4 “(3aS,8aS)-4,4,8,8-tetrakis(3,5-dimethylphenyl)tetrahydro-N,N,2,2-tetramethyl-1,3-Dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/840504-21-4.gif)
