CAS RN: 684648-47-3
2-(3,5-Difluorophenyl)-1,3,2-dioxaborinane
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.20250321 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS684648-47-3
- Purity/Analytical Methods: >99.0%
684648-47-3 / 2-(3,5-difluorophenyl)-1,3,2-dioxaborinane
Basic Information
CAS
684648-47-3
Multi CAS
No
Molecular Formula
BC9F2H9O2
Molecular Weight
197.980000
Exact Mass
198.066366
InChI
InChI=1S/C9H9BF2O2/c11-8-4-7(5-9(12)6-8)10-13-2-1-3-14-10/h4-6H,1-3H2
InChIKey
OPMWYZCBZAQSRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.27
TPSA
18.46
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-3.15
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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