![CAS 694520-56-4 1-[(4S)-4-(phenylMethyl)-2-thioxo-3-oxazolidinyl]-Ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/694520-56-4.gif)
CAS RN: 694520-56-4
1-[(4S)-4-(phenylMethyl)-2-thioxo-3-oxazolidinyl]-Ethanone
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.20251122 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS694520-56-4
- Purity/Analytical Methods: >99.0%
694520-56-4 / 1-[(4S)-4-benzyl-2-sulfanylidene-1,3-oxazolidin-3-yl]ethanone
Basic Information
CAS
694520-56-4
Multi CAS
Yes
Molecular Formula
C12H13NO2S
Molecular Weight
235.300000
Exact Mass
235.066700
InChI
InChI=1S/C12H13NO2S/c1-9(14)13-11(8-15-12(13)16)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKey
WEQDBJJDTFGOQU-NSHDSACASA-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
65
TPSA
29.54
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
2.3
Consensus LogP
1.87
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.9
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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