CAS RN: 34322-06-0
2-PROPYL 3-METHYLBUTANETHIOATE
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.20250630 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS34322-06-0
- Purity/Analytical Methods: >99.0%
34322-06-0 / S-propan-2-yl 3-methylbutanethioate
Basic Information
CAS
34322-06-0
Multi CAS
Yes
Molecular Formula
C8H16OS
Molecular Weight
160.280000
Exact Mass
160.092186
InChI
InChI=1S/C8H16OS/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3
InChIKey
KMXYCSRBFGUVHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
47.19
TPSA
17.07
LogP / Solubility
WLOGP
2.7
MLOGP
2.37
XLogP3
2.7
Consensus LogP
2.59
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.3
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)
-1.78
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
1.5
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