CAS RN: 14294-63-4
4-Ketocapric acid ethyl ester
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.20251225 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS14294-63-4
- Purity/Analytical Methods: >99.0%
14294-63-4 / ethyl 4-oxodecanoate
Basic Information
CAS
14294-63-4
Multi CAS
No
Molecular Formula
C12H22O3
Molecular Weight
214.300000
Exact Mass
214.156895
SMILES
CCCCCCC(=O)CCC(=O)OCC
InChI
InChI=1S/C12H22O3/c1-3-5-6-7-8-11(13)9-10-12(14)15-4-2/h3-10H2,1-2H3
InChIKey
MNGJUPPXQPRNJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.83
Rotatable bonds
9
H-bond acceptors
3
Molar refractivity
59.63
TPSA
43.37
LogP / Solubility
WLOGP
2.87
MLOGP
2.53
XLogP3
2.5
Consensus LogP
2.63
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.51
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)
-1.99
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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