CAS RN: 79356-91-5
(9Z,12Z,15Z)-9,12,15-octadecatrienamide
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.20260227 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS79356-91-5
- Purity/Analytical Methods: >99.0%
79356-91-5 / octadeca-9,12,15-trienamide
Basic Information
CAS
79356-91-5
Multi CAS
Yes
Molecular Formula
C18H31NO
Molecular Weight
277.400000
Exact Mass
277.240565
InChI
InChI=1S/C18H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H2,19,20)/b4-3-,7-6-,10-9-
InChIKey
NHUOWASJBBPFMB-PDBXOOCHSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.61
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
88.46
TPSA
43.09
LogP / Solubility
WLOGP
5.06
MLOGP
4.46
XLogP3
5.2
Consensus LogP
4.91
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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