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CAS 869008-16-2 3-Pyridinesulfonamide, 2-amino-5-bromo- molecular structure lightbox
CAS RN: 869008-16-2

3-Pyridinesulfonamide, 2-amino-5-bromo-

  • Product code: SSC-196220
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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 869008-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

869008-16-2 / 2-amino-5-bromopyridine-3-sulfonamide

Standard CAS: 869008-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
869008-16-2
Multi CAS
No
Molecular Formula
BC5H6O2Rn3S
Molecular Weight
252.090000
Exact Mass
250.936410
InChI
InChI=1S/C5H6BrN3O2S/c6-3-1-4(12(8,10)11)5(7)9-2-3/h1-2H,(H2,7,9)(H2,8,10,11)
InChIKey
IJYXGZXSYHBIBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.72
TPSA
99.07

LogP / Solubility

WLOGP
0.07
MLOGP
0.07
XLogP3
0.3
Consensus LogP
0.15
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.21

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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