![CAS 80495-47-2 N,N’-[IMinobis(sulfonyl-1,3,4-thiadiazole-5,2-diyl)]bisacetaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/80495-47-2.gif)
CAS RN: 80495-47-2
N,N’-[IMinobis(sulfonyl-1,3,4-thiadiazole-5,2-diyl)]bisacetaMide
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.20251031 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS80495-47-2
- Purity/Analytical Methods: >99.0%
80495-47-2 / N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
Basic Information
CAS
80495-47-2
Multi CAS
No
Molecular Formula
C8H9N7O6S4
Molecular Weight
427.500000
Exact Mass
426.949716
InChI
InChI=1S/C8H9N7O6S4/c1-3(16)9-5-11-13-7(22-5)24(18,19)15-25(20,21)8-14-12-6(23-8)10-4(2)17/h15H,1-2H3,(H,9,11,16)(H,10,12,17)
InChIKey
IFHVLEPJWVZZBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
12
H-bond donors
3
Molar refractivity
85.93
TPSA
190.07
LogP / Solubility
WLOGP
-1.03
MLOGP
-0.88
XLogP3
-1.4
Consensus LogP
-1.1
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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