CAS RN: 1309443-98-8
2-Methoxy-6-Methylpyridin-4-ylboronic 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.20250720 | 25mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1309443-98-8
- Purity/Analytical Methods: >99.0%
1309443-98-8 / (2-methoxy-6-methyl-4-pyridinyl)boronic acid
Basic Information
CAS
1309443-98-8
Multi CAS
No
Molecular Formula
C7H10BNO3
Molecular Weight
166.970000
Exact Mass
167.075373
SMILES
B(C1=CC(=NC(=C1)OC)C)(O)O
InChI
InChI=1S/C7H10BNO3/c1-5-3-6(8(10)11)4-7(9-5)12-2/h3-4,10-11H,1-2H3
InChIKey
ZIWIJZVFBWGBJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.35
TPSA
62.58
LogP / Solubility
WLOGP
-0.92
MLOGP
-0.81
XLogP3
-0.92
Consensus LogP
-0.88
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.39
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
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