CAS RN: 35194-75-3
Potassium isooctanoate
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.20260222 | 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS35194-75-3
- Purity/Analytical Methods: >99.0%
35194-75-3 / potassium 6-methylheptanoate
Basic Information
CAS
35194-75-3
Multi CAS
No
Molecular Formula
C8H15KO2
Molecular Weight
182.300000
Exact Mass
182.070911
InChI
InChI=1S/C8H16O2.K/c1-7(2)5-3-4-6-8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKey
SXWZSWLBMCNOPC-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
38.31
TPSA
40.13
LogP / Solubility
WLOGP
-2.04
MLOGP
-1.8
XLogP3
-2.04
Consensus LogP
-1.96
Log S (ESOL)
0.65
Class (ESOL)
Highly soluble
Log S (Ali)
0.42
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.25
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-5.28
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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