CAS RN: 547-52-4
disulon
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260607 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS547-52-4
- Purity/Analytical Methods: >99.0%
547-52-4 / 4-amino-N-(4-sulfamoylphenyl)benzenesulfonamide
Basic Information
CAS
547-52-4
Multi CAS
Yes
Molecular Formula
C12H13N3O4S2
Molecular Weight
327.400000
Exact Mass
327.034748
InChI
InChI=1S/C12H13N3O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,13H2,(H2,14,16,17)
InChIKey
GCQZFVAHUZIDRP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
79.48
TPSA
132.35
LogP / Solubility
WLOGP
0.72
MLOGP
0.65
XLogP3
0.6
Consensus LogP
0.66
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately 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)
-4.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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