CAS RN: 947150-46-1
S-(11-BroMoundecyl) thioacetate
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.20260123 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS947150-46-1
- Purity/Analytical Methods: >99.0%
947150-46-1 / S-(11-bromoundecyl) ethanethioate
Basic Information
CAS
947150-46-1
Multi CAS
No
Molecular Formula
C13H25BROS
Molecular Weight
309.310000
Exact Mass
308.080950
InChI
InChI=1S/C13H25BrOS/c1-13(15)16-12-10-8-6-4-2-3-5-7-9-11-14/h2-12H2,1H3
InChIKey
JEDBIVNXPYJQIU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
78.49
TPSA
17.07
LogP / Solubility
WLOGP
5.17
MLOGP
4.56
XLogP3
5.6
Consensus LogP
5.11
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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