CAS RN: 1256345-46-6
5-Isoquinolineboronic acid, HCl
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.20250715 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1256345-46-6
- Purity/Analytical Methods: >99.0%
1256345-46-6 / isoquinolin-5-ylboronic acid;hydrochloride
Basic Information
CAS
1256345-46-6
Multi CAS
No
Molecular Formula
C9H9BClNO2
Molecular Weight
209.440000
Exact Mass
209.041486
SMILES
B(C1=C2C=CN=CC2=CC=C1)(O)O.Cl
InChI
InChI=1S/C9H8BNO2.ClH/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9;/h1-6,12-13H;1H
InChIKey
BCHKZJGKVPKAJO-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
58.82
TPSA
53.35
LogP / Solubility
WLOGP
0.34
MLOGP
0.3
XLogP3
0.34
Consensus LogP
0.33
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-3.76
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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