CAS RN: 2225155-59-7
2-Fluoro-5-(tert-butyl)phenylboronic 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.20260221 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2225155-59-7
- Purity/Analytical Methods: >99.0%
2225155-59-7 / (5-tert-butyl-2-fluorophenyl)boronic acid
Basic Information
CAS
2225155-59-7
Multi CAS
No
Molecular Formula
C10H14BFO2
Molecular Weight
196.030000
Exact Mass
196.107088
SMILES
B(C1=C(C=CC(=C1)C(C)(C)C)F)(O)O
InChI
InChI=1S/C10H14BFO2/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,13-14H,1-3H3
InChIKey
LBRVIJSKYRTRCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.93
TPSA
40.46
LogP / Solubility
WLOGP
0.8
MLOGP
0.71
XLogP3
0.8
Consensus LogP
0.77
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-3.35
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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