CAS RN: 452972-09-7
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.20260619 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-153064
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g, 5g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
452972-09-7 / (5-bromo-3-pyridinyl)boronic acid
Basic Information
CAS
452972-09-7
Multi CAS
No
Molecular Formula
B2C5H5O2Rn
Molecular Weight
201.820000
Exact Mass
200.959670
InChI
InChI=1S/C5H5BBrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3,9-10H
InChIKey
ICCGFOKNFZWCTJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.76
TPSA
53.35
LogP / Solubility
WLOGP
-0.48
MLOGP
-0.42
XLogP3
-0.48
Consensus LogP
-0.46
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
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)
-4.29
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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