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CAS 1003043-31-9 2-BROMO-3-CHLOROPYRIDINE-4-BORONIC ACID molecular structure lightbox
CAS RN: 1003043-31-9

2-BROMO-3-CHLOROPYRIDINE-4-BORONIC ACID

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250503 1g In stock Inquiry
Batchno.20260401 250mg In stock Inquiry
Batchno.20250607 25g In stock Inquiry
Batchno.20250826 5g In stock Inquiry
  • Product code: SSC-000796
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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: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1003043-31-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1003043-31-9 / (2-bromo-3-chloro-4-pyridinyl)boronic acid

(2-bromo-3-chloropyridin-4-yl)boronic acid | DTXSID40590359 | RefChem:1049658

Standard CAS: 1003043-31-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1003043-31-9
Multi CAS
No
Molecular Formula
C5H4BBrClNO2
Molecular Weight
236.260000
Exact Mass
234.920700
SMILES
B(C1=C(C(=NC=C1)Br)Cl)(O)O
InChI
InChI=1S/C5H4BBrClNO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2,10-11H
InChIKey
XBFYDECHVMPQHV-UHFFFAOYSA-N
Synonyms
(2-bromo-3-chloropyridin-4-yl)boronic acid DTXSID40590359 RefChem:1049658 DTXCID80541123 2-Bromo-3-chloropyridine-4-boronic 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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