CAS RN: 957720-01-3
B-(1-methyl-1H-imidazol-4-yl)- Boronic 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.20260411 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS957720-01-3
- Purity/Analytical Methods: >99.0%
957720-01-3 / (1-methylimidazol-4-yl)boronic acid
Basic Information
CAS
957720-01-3
Multi CAS
No
Molecular Formula
BC4H7N2O2
Molecular Weight
125.920000
Exact Mass
126.060058
InChI
InChI=1S/C4H7BN2O2/c1-7-2-4(5(8)9)6-3-7/h2-3,8-9H,1H3
InChIKey
OFMUVGASVDGYKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
33.03
TPSA
58.28
LogP / Solubility
WLOGP
-1.9
MLOGP
-1.68
XLogP3
-1.9
Consensus LogP
-1.83
Log S (ESOL)
0.23
Class (ESOL)
Highly soluble
Log S (Ali)
0.78
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.98
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.84
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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