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CAS 59-40-5 Sulfaquinoxaline molecular structure lightbox
CAS RN: 59-40-5

Sulfaquinoxaline

  • Product code: SSC-167346
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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: 5g
  • 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 59-40-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

59-40-5 / 4-amino-N-quinoxalin-2-ylbenzenesulfonamide

Standard CAS: 59-40-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
59-40-5
Multi CAS
Yes
Molecular Formula
C14H12N4O2S
Molecular Weight
300.340000
Exact Mass
300.068097
InChI
InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)
InChIKey
NHZLNPMOSADWGC-UHFFFAOYSA-N

Physical Properties

Melting Point
247.5 °C 247 - 248 °C
Physical Description
Solid; [Merck Index] Solid
Appearance
Minute crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
81.2
TPSA
97.97

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
1.7
Consensus LogP
1.83
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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