![CAS 1446334-78-6 Boronic acid, B-(2-methylimidazo[1,2-a]pyridin-6-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1446334-78-6.gif)
CAS RN: 1446334-78-6
Boronic acid, B-(2-methylimidazo[1,2-a]pyridin-6-yl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260130 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1446334-78-6
- Purity/Analytical Methods: >99.0%
1446334-78-6 / (2-methylimidazo[1,2-a]pyridin-6-yl)boronic acid
Basic Information
CAS
1446334-78-6
Multi CAS
No
Molecular Formula
C8H9BN2O2
Molecular Weight
175.980000
Exact Mass
176.075708
SMILES
B(C1=CN2C=C(N=C2C=C1)C)(O)O
InChI
InChI=1S/C8H9BN2O2/c1-6-4-11-5-7(9(12)13)2-3-8(11)10-6/h2-5,12-13H,1H3
InChIKey
VUUPLVFPKSXZMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.75
TPSA
57.76
LogP / Solubility
WLOGP
-0.68
MLOGP
-0.6
XLogP3
-0.68
Consensus LogP
-0.65
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.36
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)
-4.27
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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