CAS RN: 56218-72-5
(E)-11-Hexadecen-1-ol acetate
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.20250802 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS56218-72-5
- Purity/Analytical Methods: >99.0%
56218-72-5 / hexadec-11-enyl acetate
Basic Information
CAS
56218-72-5
Multi CAS
Yes
Molecular Formula
C18H34O2
Molecular Weight
282.500000
Exact Mass
282.255880
InChI
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7H,3-5,8-17H2,1-2H3/b7-6+
InChIKey
BTKXLQSCEOHKTF-VOTSOKGWSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
86.85
TPSA
26.3
LogP / Solubility
WLOGP
5.81
MLOGP
5.12
XLogP3
6.9
Consensus LogP
5.94
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8
Class (SILICOS-IT)
Insoluble
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)
-0.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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