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CAS 54136-36-6 3-Pyridinesulfonamide,2-amino-(9CI) molecular structure lightbox
CAS RN: 54136-36-6

3-Pyridinesulfonamide,2-amino-(9CI)

  • Product code: SSC-161710
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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 54136-36-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

54136-36-6 / 2-aminopyridine-3-sulfonamide

Standard CAS: 54136-36-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54136-36-6
Multi CAS
No
Molecular Formula
C5H7N3O2S
Molecular Weight
173.200000
Exact Mass
173.025898
InChI
InChI=1S/C5H7N3O2S/c6-5-4(11(7,9)10)2-1-3-8-5/h1-3H,(H2,6,8)(H2,7,9,10)
InChIKey
OSNIMFGIQMXORV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.02
TPSA
99.07

LogP / Solubility

WLOGP
-0.69
MLOGP
-0.61
XLogP3
-0.4
Consensus LogP
-0.57
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.27

Drug-likeness / Medicinal Chemistry

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

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