![CAS 39130-93-3 4-Thiazolidinone, 2-[(2-chlorophenyl)imino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/39130-93-3.gif)
CAS RN: 39130-93-3
4-Thiazolidinone, 2-[(2-chlorophenyl)imino]-
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.20251205 | 250mg / 1g | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS39130-93-3
- Purity/Analytical Methods: >99.0%
39130-93-3 / 2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
Basic Information
CAS
39130-93-3
Multi CAS
No
Molecular Formula
C9H7CLN2OS
Molecular Weight
226.680000
Exact Mass
225.996762
InChI
InChI=1S/C9H7ClN2OS/c10-6-3-1-2-4-7(6)11-9-12-8(13)5-14-9/h1-4H,5H2,(H,11,12,13)
InChIKey
WSJNVJNVVOOKGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.15
TPSA
41.46
LogP / Solubility
WLOGP
2.19
MLOGP
1.93
XLogP3
2.5
Consensus LogP
2.21
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS39136-62-4
- Purity/Analytical method: >99.0%
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