CAS RN: 3805-26-3
2,4-Thiazolidinedione,5-(1-methylethyl)-(9CI)
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.20250714 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3805-26-3
- Purity/Analytical Methods: >99.0%
3805-26-3 / 5-propan-2-yl-1,3-thiazolidine-2,4-dione
Basic Information
CAS
3805-26-3
Multi CAS
No
Molecular Formula
C6H9NO2S
Molecular Weight
159.210000
Exact Mass
159.035400
InChI
InChI=1S/C6H9NO2S/c1-3(2)4-5(8)7-6(9)10-4/h3-4H,1-2H3,(H,7,8,9)
InChIKey
CJDWRXRYXXZOFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.76
TPSA
46.17
LogP / Solubility
WLOGP
0.99
MLOGP
0.87
XLogP3
1.4
Consensus LogP
1.09
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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