CAS RN: 1254771-90-8
4-Fluoro(phenyl-d4)-boronic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260206 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1254771-90-8
- Purity/Analytical Methods: >99.0%
1254771-90-8 / (2,3,5,6-tetradeuterio-4-fluorophenyl)boronic acid
Basic Information
CAS
1254771-90-8
Multi CAS
No
Molecular Formula
C6H6BFO2
Molecular Weight
143.950000
Exact Mass
144.069595
SMILES
[2H]C1=C(C(=C(C(=C1B(O)O)[2H])[2H])F)[2H]
InChI
InChI=1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H/i1D,2D,3D,4D
InChIKey
LBUNNMJLXWQQBY-RHQRLBAQSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.23
TPSA
40.46
LogP / Solubility
WLOGP
-0.49
MLOGP
-0.44
XLogP3
-0.49
Consensus LogP
-0.47
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.35
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.28
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.92
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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