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CAS 96097-52-8 N-(3-methoxypyrazin-2-yl)-N-((4-nitrophenyl)sulfonyl)acetamide(WXC06544) molecular structure lightbox
CAS RN: 96097-52-8

N-(3-methoxypyrazin-2-yl)-N-((4-nitrophenyl)sulfonyl)acetamide(WXC06544)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250419 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS96097-52-8
  • Purity/Analytical Methods: >99.0%
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96097-52-8 / N-(3-methoxypyrazin-2-yl)-N-(4-nitrophenyl)sulfonylacetamide

Standard CAS: 96097-52-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96097-52-8
Multi CAS
No
Molecular Formula
C13H12N4O6S
Molecular Weight
352.320000
Exact Mass
352.047755
InChI
InChI=1S/C13H12N4O6S/c1-9(18)16(12-13(23-2)15-8-7-14-12)24(21,22)11-5-3-10(4-6-11)17(19)20/h3-8H,1-2H3
InChIKey
SEEXZFXNONPKOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
8
Molar refractivity
82.03
TPSA
132.6

LogP / Solubility

WLOGP
1.14
MLOGP
1.02
XLogP3
0.7
Consensus LogP
0.95
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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