CAS RN: 22847-06-9
4-Ketoundecanoicacid
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.20260126 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS22847-06-9
- Purity/Analytical Methods: >99.0%
22847-06-9 / 4-oxoundecanoic acid
Basic Information
CAS
22847-06-9
Multi CAS
No
Molecular Formula
C11H20O3
Molecular Weight
200.270000
Exact Mass
200.141245
SMILES
CCCCCCCC(=O)CCC(=O)O
InChI
InChI=1S/C11H20O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h2-9H2,1H3,(H,13,14)
InChIKey
KBWRWCSRYCKEOR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.82
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.25
TPSA
54.37
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.4
Consensus LogP
2.54
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
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)
-1.97
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
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