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CAS 874959-68-9 5-Bromopyridine-2-sulfonyl chloride molecular structure lightbox
CAS RN: 874959-68-9

5-Bromopyridine-2-sulfonyl chloride

  • Product code: SSC-197549
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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: 1g
  • 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 874959-68-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

874959-68-9 / 5-bromopyridine-2-sulfonyl chloride

Standard CAS: 874959-68-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
874959-68-9
Multi CAS
No
Molecular Formula
C5H3BRCLNO2S
Molecular Weight
256.510000
Exact Mass
254.875640
InChI
InChI=1S/C5H3BrClNO2S/c6-4-1-2-5(8-3-4)11(7,9)10/h1-3H
InChIKey
CZPJXSLJOVFCOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.98
TPSA
47.03

LogP / Solubility

WLOGP
1.77
MLOGP
1.57
XLogP3
1.9
Consensus LogP
1.75
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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