CAS RN: 80395-14-8
4-Fluorobenzylphosphonic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250518 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 1 business days | Inquiry |
- Product code: starshine_CAS80395-14-8
- Purity/Analytical Methods: >99.0%
80395-14-8 / (4-fluorophenyl)methylphosphonic acid
Basic Information
CAS
80395-14-8
Multi CAS
No
Molecular Formula
C7FH8O3P
Molecular Weight
190.110000
Exact Mass
190.019509
InChI
InChI=1S/C7H8FO3P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKey
RHUKKXTWNWQHJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
42.15
TPSA
57.53
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
Consensus LogP
0.94
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately 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)
-2.81
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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