![CAS 1252686-51-3 1-[(4R)-4-(1-Methylethyl)-2-thioxo-3-oxazolidinyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1252686-51-3.gif)
CAS RN: 1252686-51-3
1-[(4R)-4-(1-Methylethyl)-2-thioxo-3-oxazolidinyl]-
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.20260318 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-029998
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 | Shanghai | Inquiry |
1252686-51-3 / 1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-oxazolidin-3-yl]propan-1-one
Basic Information
CAS
1252686-51-3
Multi CAS
No
Molecular Formula
C9H15NO2S
Molecular Weight
201.290000
Exact Mass
201.082350
SMILES
CCC(=O)N1[C@@H](COC1=S)C(C)C
InChI
InChI=1S/C9H15NO2S/c1-4-8(11)10-7(6(2)3)5-12-9(10)13/h6-7H,4-5H2,1-3H3/t7-/m0/s1
InChIKey
FIEFJRBGCDTCBC-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.31
TPSA
29.54
LogP / Solubility
WLOGP
1.56
MLOGP
1.38
XLogP3
2.1
Consensus LogP
1.68
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.84
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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