CAS RN: 850568-06-8
3-Fluoro-4-hydrazinocarbonylphenylboronic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250516 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS850568-06-8
- Purity/Analytical Methods: >99.0%
850568-06-8 / [3-fluoro-4-(hydrazinecarbonyl)phenyl]boronic acid
Basic Information
CAS
850568-06-8
Multi CAS
Yes
Molecular Formula
BC7FH8N2O3
Molecular Weight
197.960000
Exact Mass
198.061200
InChI
InChI=1S/C7H8BFN2O3/c9-6-3-4(8(13)14)1-2-5(6)7(12)11-10/h1-3,13-14H,10H2,(H,11,12)
InChIKey
HKIPNGLGNVCWCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
47.88
TPSA
95.58
LogP / Solubility
WLOGP
-1.89
MLOGP
-1.66
XLogP3
-1.89
Consensus LogP
-1.81
Log S (ESOL)
-0.06
Class (ESOL)
Very soluble
Log S (Ali)
0.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.38
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.27
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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