CAS RN: 1558927-43-7
2-Amino-6-chloropyridine-4-boronic acid, pinacol ester
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251212 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250128 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250420 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250812 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250601 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1558927-43-7
- Purity/Analytical Methods: >99.0%
1558927-43-7 / 6-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
Basic Information
CAS
1558927-43-7
Multi CAS
No
Molecular Formula
C11H16BClN2O2
Molecular Weight
254.520000
Exact Mass
254.099336
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)Cl)N
InChI
InChI=1S/C11H16BClN2O2/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)15-9(14)6-7/h5-6H,1-4H3,(H2,14,15)
InChIKey
QCBXUQGLZCPEFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.38
TPSA
57.37
LogP / Solubility
WLOGP
1.62
MLOGP
1.43
XLogP3
1.62
Consensus LogP
1.56
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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