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CAS 3609-89-0 4-BroMo-N-(2-pyridyl)benzenesulfonaMide molecular structure lightbox
CAS RN: 3609-89-0

4-BroMo-N-(2-pyridyl)benzenesulfonaMide

  • Product code: SSC-143216
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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 3609-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

3609-89-0 / 4-bromo-N-pyridin-2-ylbenzenesulfonamide

Standard CAS: 3609-89-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3609-89-0
Multi CAS
No
Molecular Formula
BC11H9O2Rn2S
Molecular Weight
313.170000
Exact Mass
311.956810
InChI
InChI=1S/C11H9BrN2O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,(H,13,14)
InChIKey
FTYAOASOWZRBHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.19
TPSA
59.06

LogP / Solubility

WLOGP
2.64
MLOGP
2.34
XLogP3
1.4
Consensus LogP
2.13
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

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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