CAS RN: 2225178-09-4
6-Methyl-5-bromopyridine-3-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.20250708 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2225178-09-4
- Purity/Analytical Methods: >99.0%
2225178-09-4 / (5-bromo-6-methyl-3-pyridinyl)boronic acid
Basic Information
CAS
2225178-09-4
Multi CAS
No
Molecular Formula
C6H7BBrNO2
Molecular Weight
215.840000
Exact Mass
214.975320
SMILES
B(C1=CC(=C(N=C1)C)Br)(O)O
InChI
InChI=1S/C6H7BBrNO2/c1-4-6(8)2-5(3-9-4)7(10)11/h2-3,10-11H,1H3
InChIKey
DQGDXNZOPUNCKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.5
TPSA
53.35
LogP / Solubility
WLOGP
-0.17
MLOGP
-0.15
XLogP3
-0.17
Consensus LogP
-0.16
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
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)
-4.16
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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