CAS RN: 28824-66-0
AKOS B018368
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251212 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS28824-66-0
- Purity/Analytical Methods: >99.0%
28824-66-0 / (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Basic Information
CAS
28824-66-0
Multi CAS
Yes
Molecular Formula
C11H7NO3S2
Molecular Weight
265.300000
Exact Mass
264.986735
InChI
InChI=1S/C11H7NO3S2/c13-10-9(17-11(16)12-10)4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H,12,13,16)/b9-4+
InChIKey
NGCBEAPNPMOYEM-RUDMXATFSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.87
TPSA
47.56
LogP / Solubility
WLOGP
1.9
MLOGP
1.68
XLogP3
2.6
Consensus LogP
2.06
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 28832-58-8 2-Naphthalenol,1-[2-(5-chloro-2-pyridinyl) diazenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/28832-58-8.gif)
