CAS RN: 1889-58-3
O,O-diethyl S-phenyl phosphorothioate
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.20260425 | 25mg / 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: starshine_CAS1889-58-3
- Purity/Analytical Methods: >99.0%
1889-58-3 / diethoxyphosphorylsulfanylbenzene
Basic Information
CAS
1889-58-3
Multi CAS
No
Molecular Formula
C10H15O3PS
Molecular Weight
246.270000
Exact Mass
246.047953
SMILES
CCOP(=O)(OCC)SC1=CC=CC=C1
InChI
InChI=1S/C10H15O3PS/c1-3-12-14(11,13-4-2)15-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey
GFWPLRWWFQJJOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
63.16
TPSA
35.53
LogP / Solubility
WLOGP
3.96
MLOGP
3.49
XLogP3
2.2
Consensus LogP
3.22
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41
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
![CAS 1890-25-1 Spiro[5.5]undeca-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1890-25-1.gif)
