CAS RN: 1800483-72-0
6-Borono-3-chloroisoquinoline, 6-Borono-3-chloro-2-azanaphthalene
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.20250823 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1800483-72-0
- Purity/Analytical Methods: >99.0%
1800483-72-0 / (3-chloroisoquinolin-6-yl)boronic acid
Basic Information
CAS
1800483-72-0
Multi CAS
No
Molecular Formula
C9H7BClNO2
Molecular Weight
207.420000
Exact Mass
207.025836
SMILES
B(C1=CC2=CC(=NC=C2C=C1)Cl)(O)O
InChI
InChI=1S/C9H7BClNO2/c11-9-4-7-3-8(10(13)14)2-1-6(7)5-12-9/h1-5,13-14H
InChIKey
CDJPJGXLCGBLRD-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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