CAS RN: 1256355-52-8
2,6-Dibromopyridine-3-boronicacid
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.20260318 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1256355-52-8
- Purity/Analytical Methods: >99.0%
1256355-52-8 / (2,6-dibromo-3-pyridinyl)boronic acid
Basic Information
CAS
1256355-52-8
Multi CAS
No
Molecular Formula
C5H4BBr2NO2
Molecular Weight
280.710000
Exact Mass
280.868130
SMILES
B(C1=C(N=C(C=C1)Br)Br)(O)O
InChI
InChI=1S/C5H4BBr2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2,10-11H
InChIKey
PTTWODKSMWAAHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.46
TPSA
53.35
LogP / Solubility
WLOGP
0.29
MLOGP
0.26
XLogP3
0.29
Consensus LogP
0.28
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.84
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)
-4.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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2-(2-Cyanophenylmethoxy)phenylboronic acid
- CAS RN: 1256355-77-7
- Product Code: starshine_CAS1256355-77-7
- Purity/Analytical method: >99.0%
