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CAS 89391-76-4 Pyrazinesulfonamide, 3-methyl- (9CI) molecular structure lightbox
CAS RN: 89391-76-4

Pyrazinesulfonamide, 3-methyl- (9CI)

  • Product code: SSC-201364
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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 89391-76-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

89391-76-4 / 3-methylpyrazine-2-sulfonamide

Standard CAS: 89391-76-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89391-76-4
Multi CAS
No
Molecular Formula
C5H7N3O2S
Molecular Weight
173.200000
Exact Mass
173.025898
InChI
InChI=1S/C5H7N3O2S/c1-4-5(11(6,9)10)8-3-2-7-4/h2-3H,1H3,(H2,6,9,10)
InChIKey
VJGJIPSXLFPAPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.14
TPSA
85.94

LogP / Solubility

WLOGP
-0.57
MLOGP
-0.5
XLogP3
-0.9
Consensus LogP
-0.66
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
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)
-4.18

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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