CAS RN: 1217500-71-4
8-Fluoroquinoline-7-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.20260522 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1217500-71-4
- Purity/Analytical Methods: >99.0%
1217500-71-4 / (8-fluoroquinolin-7-yl)boronic acid
Basic Information
CAS
1217500-71-4
Multi CAS
No
Molecular Formula
C9H7BFNO2
Molecular Weight
190.970000
Exact Mass
191.055387
SMILES
B(C1=C(C2=C(C=CC=N2)C=C1)F)(O)O
InChI
InChI=1S/C9H7BFNO2/c11-8-7(10(13)14)4-3-6-2-1-5-12-9(6)8/h1-5,13-14H
InChIKey
UYVBZWJQHLQPII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.53
TPSA
53.35
LogP / Solubility
WLOGP
0.05
MLOGP
0.05
XLogP3
0.05
Consensus LogP
0.05
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
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)
-3.85
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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