![CAS 1328839-27-5 1-[(4S)-4-phenyl-2-thioxo-3-oxazolidinyl]-1-Propanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1328839-27-5.gif)
CAS RN: 1328839-27-5
1-[(4S)-4-phenyl-2-thioxo-3-oxazolidinyl]-1-Propanone
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.20250910 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-039602
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1328839-27-5 / 1-[(4S)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]propan-1-one
Basic Information
CAS
1328839-27-5
Multi CAS
No
Molecular Formula
C12H13NO2S
Molecular Weight
235.300000
Exact Mass
235.066700
SMILES
CCC(=O)N1[C@H](COC1=S)C2=CC=CC=C2
InChI
InChI=1S/C12H13NO2S/c1-2-11(14)13-10(8-15-12(13)16)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m1/s1
InChIKey
PRFLWLYHKSPZGT-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
64.87
TPSA
29.54
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
2.3
Consensus LogP
2.2
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.54
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
2
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