CAS RN: 22348-96-5
methyl 3-oxodecanoate
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.20250829 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS22348-96-5
- Purity/Analytical Methods: >99.0%
22348-96-5 / methyl 3-oxodecanoate
Basic Information
CAS
22348-96-5
Multi CAS
No
Molecular Formula
C11H20O3
Molecular Weight
200.270000
Exact Mass
200.141245
SMILES
CCCCCCCC(=O)CC(=O)OC
InChI
InChI=1S/C11H20O3/c1-3-4-5-6-7-8-10(12)9-11(13)14-2/h3-9H2,1-2H3
InChIKey
QOQWSGSXXQSUOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.82
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
55.02
TPSA
43.37
LogP / Solubility
WLOGP
2.48
MLOGP
2.18
XLogP3
3
Consensus LogP
2.55
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.98
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)
-2.18
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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