CAS RN: 159020-61-8
3-(4-FLUOROPHENYL)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.20250806 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS159020-61-8
- Purity/Analytical Methods: >99.0%
159020-61-8 / [3-(4-fluorophenyl)phenyl]boronic acid
Basic Information
CAS
159020-61-8
Multi CAS
No
Molecular Formula
C12H10BFO2
Molecular Weight
216.020000
Exact Mass
216.075788
SMILES
B(C1=CC(=CC=C1)C2=CC=C(C=C2)F)(O)O
InChI
InChI=1S/C12H10BFO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8,15-16H
InChIKey
MWIYVSACQNAMRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.66
TPSA
40.46
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
1.17
Consensus LogP
1.12
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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