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CAS 339363-22-3 2,4-Thiazolidinedione, 3-(2-hydroxyethyl)- molecular structure lightbox
CAS RN: 339363-22-3

2,4-Thiazolidinedione, 3-(2-hydroxyethyl)-

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251230 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250513 1g Out of stock Inquiry
Batchno.20250306 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260427 5g In stock Tianjin Inquiry
  • Product code: starshine_CAS339363-22-3
  • Purity/Analytical Methods: >99.0%
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339363-22-3 / 3-(2-hydroxyethyl)-1,3-thiazolidine-2,4-dione

Standard CAS: 339363-22-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
339363-22-3
Multi CAS
Yes
Molecular Formula
C5H7NO3S
Molecular Weight
161.180000
Exact Mass
161.014664
InChI
InChI=1S/C5H7NO3S/c7-2-1-6-4(8)3-10-5(6)9/h7H,1-3H2
InChIKey
PJOQCYGCTXGPBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.65
TPSA
57.61

LogP / Solubility

WLOGP
-0.33
MLOGP
-0.29
XLogP3
-0.4
Consensus LogP
-0.34
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very 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)
-3.93

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
1.5

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