CAS RN: 1654-86-0
Decyl Decanoate
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250120 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251228 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20250527 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250618 | 500g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250703 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: ICTD1080
- Purity/Analytical Methods: >95.0%(GC)
1654-86-0 / decyl decanoate
Basic Information
CAS
1654-86-0
Multi CAS
No
Molecular Formula
C20H40O2
Molecular Weight
312.500000
Exact Mass
312.302831
SMILES
CCCCCCCCCCOC(=O)CCCCCCCCC
InChI
InChI=1S/C20H40O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
InChIKey
XAKXZZPEUKNHMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
17
H-bond acceptors
2
Molar refractivity
96.18
TPSA
26.3
LogP / Solubility
WLOGP
6.81
MLOGP
6.01
XLogP3
8.7
Consensus LogP
7.17
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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- CAS RN: 111-62-6
- Product Code: ICTO0054
- Purity/Analytical method: >70.0%(GC)
