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CAS 1215943-03-5 6-Bromo-N-methylpyridine-3-sulfonamide molecular structure lightbox
CAS RN: 1215943-03-5

6-Bromo-N-methylpyridine-3-sulfonamide

  • Product code: SSC-024146
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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: 0.1g, 0.25g, 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 1215943-03-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1215943-03-5 / 6-bromo-N-methylpyridine-3-sulfonamide

Standard CAS: 1215943-03-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1215943-03-5
Multi CAS
No
Molecular Formula
C6H7BrN2O2S
Molecular Weight
251.100000
Exact Mass
249.941160
SMILES
CNS(=O)(=O)C1=CN=C(C=C1)Br
InChI
InChI=1S/C6H7BrN2O2S/c1-8-12(10,11)5-2-3-6(7)9-4-5/h2-4,8H,1H3
InChIKey
MDUQILGKKMSQET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.18
TPSA
59.06

LogP / Solubility

WLOGP
0.75
MLOGP
0.67
XLogP3
0.8
Consensus LogP
0.74
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-3.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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