CAS RN: 5662-79-3
6-(triMethylsilyl)hexanoic acid
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.20250618 | 25mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS5662-79-3
- Purity/Analytical Methods: >99.0%
5662-79-3 / 6-trimethylsilylhexanoic acid
Basic Information
CAS
5662-79-3
Multi CAS
Yes
Molecular Formula
C9H20O2Si
Molecular Weight
188.340000
Exact Mass
188.123256
InChI
InChI=1S/C9H20O2Si/c1-12(2,3)8-6-4-5-7-9(10)11/h4-8H2,1-3H3,(H,10,11)
InChIKey
AORYGKCFZJOSHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.26
TPSA
37.3
LogP / Solubility
WLOGP
2.97
MLOGP
2.61
XLogP3
2.97
Consensus LogP
2.85
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-1.76
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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