CAS RN: 99577-57-8
(E,Z)-2,13-OCTADECADIENAL
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.20250916 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS99577-57-8
- Purity/Analytical Methods: >99.0%
99577-57-8 / (2E,13Z)-octadeca-2,13-dienal
Basic Information
CAS
99577-57-8
Multi CAS
Yes
Molecular Formula
C18H32O
Molecular Weight
264.400000
Exact Mass
264.245316
InChI
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,16-18H,2-4,7-15H2,1H3/b6-5-,17-16+
InChIKey
NCFULMZVHNTQOK-RAPDCGKPSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.72
Rotatable bonds
14
H-bond acceptors
1
Molar refractivity
85.42
TPSA
17.07
LogP / Solubility
WLOGP
6
MLOGP
5.29
XLogP3
7.1
Consensus LogP
6.13
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.04
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
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