CAS RN: 2225155-90-6
(3-fluoro-5-(piperidin-1-yl)phenyl)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.20260502 | 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2225155-90-6
- Purity/Analytical Methods: >99.0%
2225155-90-6 / (3-fluoro-5-piperidin-1-ylphenyl)boronic acid
Basic Information
CAS
2225155-90-6
Multi CAS
No
Molecular Formula
C11H15BFNO2
Molecular Weight
223.050000
Exact Mass
223.117987
SMILES
B(C1=CC(=CC(=C1)F)N2CCCCC2)(O)O
InChI
InChI=1S/C11H15BFNO2/c13-10-6-9(12(15)16)7-11(8-10)14-4-2-1-3-5-14/h6-8,15-16H,1-5H2
InChIKey
KQDSZZRGSVZSJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.29
TPSA
43.7
LogP / Solubility
WLOGP
0.5
MLOGP
0.44
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.73
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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