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CAS 967-80-6 Sulfaquinoxaline sodium molecular structure lightbox
CAS RN: 967-80-6

Sulfaquinoxaline sodium

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250622 100mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS967-80-6
  • Purity/Analytical Methods: >99.0%
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967-80-6 / sodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide

Standard CAS: 967-80-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
967-80-6
Multi CAS
Yes
Molecular Formula
C14H11N4NAO2S
Molecular Weight
322.320000
Exact Mass
322.050041
InChI
InChI=1S/C14H11N4O2S.Na/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;/q-1;+1
InChIKey
WXUQBKOBXREBBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
80.6
TPSA
100.04

LogP / Solubility

WLOGP
-0.39
MLOGP
-0.33
XLogP3
-0.39
Consensus LogP
-0.37
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.96

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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