CAS RN: 2230902-55-1
(8-Chloroquinolin-6-yl)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.20250604 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2230902-55-1
- Purity/Analytical Methods: >99.0%
2230902-55-1 / (8-chloroquinolin-6-yl)boronic acid
Basic Information
CAS
2230902-55-1
Multi CAS
No
Molecular Formula
C9H7BClNO2
Molecular Weight
207.420000
Exact Mass
207.025836
SMILES
B(C1=CC2=C(C(=C1)Cl)N=CC=C2)(O)O
InChI
InChI=1S/C9H7BClNO2/c11-8-5-7(10(13)14)4-6-2-1-3-12-9(6)8/h1-5,13-14H
InChIKey
SGGDLPAJUCTGSZ-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
56.58
TPSA
53.35
LogP / Solubility
WLOGP
0.57
MLOGP
0.5
XLogP3
0.57
Consensus LogP
0.55
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.58
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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