CAS RN: 219821-18-8
(S)-4-BENZYL-1,3-THIAZOLIDINE-2-ONE
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.20250418 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS219821-18-8
- Purity/Analytical Methods: >99.0%
219821-18-8 / (4S)-4-benzyl-1,3-thiazolidin-2-one
Basic Information
CAS
219821-18-8
Multi CAS
No
Molecular Formula
C10H11NOS
Molecular Weight
193.270000
Exact Mass
193.056135
SMILES
C1[C@@H](NC(=O)S1)CC2=CC=CC=C2
InChI
InChI=1S/C10H11NOS/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m0/s1
InChIKey
HOTCRDXCVRFUOW-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.92
TPSA
29.1
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
2.3
Consensus LogP
2.05
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately 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)
-2.44
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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