CAS RN: 58594-45-9
Z-13-OCTADECEN-1-AL
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.20251104 | 2.5mg / 10mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS58594-45-9
- Purity/Analytical Methods: >99.0%
58594-45-9 / octadec-13-enal
Basic Information
CAS
58594-45-9
Multi CAS
Yes
Molecular Formula
C18H34O
Molecular Weight
266.500000
Exact Mass
266.260966
InChI
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3
InChIKey
QIRGIHPYVVKWTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
15
H-bond acceptors
1
Molar refractivity
85.52
TPSA
17.07
LogP / Solubility
WLOGP
6.22
MLOGP
5.48
XLogP3
7.2
Consensus LogP
6.3
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.36
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)
0.07
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
1.5
