CAS RN: 2225181-29-1
2-Bromo-6-methylpyridine-4-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.20250719 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2225181-29-1
- Purity/Analytical Methods: >99.0%
2225181-29-1 / (2-bromo-6-methyl-4-pyridinyl)boronic acid
Basic Information
CAS
2225181-29-1
Multi CAS
No
Molecular Formula
C6H7BBrNO2
Molecular Weight
215.840000
Exact Mass
214.975320
SMILES
B(C1=CC(=NC(=C1)Br)C)(O)O
InChI
InChI=1S/C6H7BBrNO2/c1-4-2-5(7(10)11)3-6(8)9-4/h2-3,10-11H,1H3
InChIKey
CICVUFPZQTWKQX-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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![CAS 2225708-89-2 4,9-Dibromo-2,7-di(2,5,8,11,14,17,20-heptaoxadocosan-22-yl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2225708-89-2.gif)
