CAS RN: 1072952-51-2
2-BROMO-5-CHLOROPYRIDINE-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.20250804 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-008827
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
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1072952-51-2 / (2-bromo-5-chloro-4-pyridinyl)boronic acid
RefChem:1077434 | B-(2-Bromo-5-chloro-4-pyridinyl)boronic acid | 2-Bromo-5-chloropyridine-4-boronic acid
Basic Information
CAS
1072952-51-2
Multi CAS
Yes
Molecular Formula
C5H4BBrClNO2
Molecular Weight
236.260000
Exact Mass
234.920700
SMILES
B(C1=CC(=NC=C1Cl)Br)(O)O
InChI
InChI=1S/C5H4BBrClNO2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2,10-11H
InChIKey
OEBDNRIHMPUZNU-UHFFFAOYSA-N
Synonyms
RefChem:1077434
B-(2-Bromo-5-chloro-4-pyridinyl)boronic acid
2-Bromo-5-chloropyridine-4-boronic acid
(2-Bromo-5-chloropyridin-4-yl)boronic acid
2-bromo-5-chloropyridin-4-ylboronic acid
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
46.77
TPSA
53.35
LogP / Solubility
WLOGP
0.18
MLOGP
0.16
XLogP3
0.18
Consensus LogP
0.17
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-4.04
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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