CAS RN: 2096332-44-2
6-(Cyclohexyloxy)-2-fluoropyridin-3-ylboronic 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.20251205 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2096332-44-2
- Purity/Analytical Methods: >99.0%
2096332-44-2 / (6-cyclohexyloxy-2-fluoro-3-pyridinyl)boronic acid
Basic Information
CAS
2096332-44-2
Multi CAS
No
Molecular Formula
C11H15BFNO3
Molecular Weight
239.050000
Exact Mass
239.112902
SMILES
B(C1=C(N=C(C=C1)OC2CCCCC2)F)(O)O
InChI
InChI=1S/C11H15BFNO3/c13-11-9(12(15)16)6-7-10(14-11)17-8-4-2-1-3-5-8/h6-8,15-16H,1-5H2
InChIKey
VKCDNXRKYRHKMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.52
TPSA
62.58
LogP / Solubility
WLOGP
0.61
MLOGP
0.54
XLogP3
0.61
Consensus LogP
0.59
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-3.74
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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