CAS RN: 35153-13-0
Z-5-TETRADECEN-1-YL ACETATE
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS35153-13-0
- Purity/Analytical Methods: >99.0%
35153-13-0 / tetradec-5-enyl acetate
Basic Information
CAS
35153-13-0
Multi CAS
Yes
Molecular Formula
C16H30O2
Molecular Weight
254.410000
Exact Mass
254.224580
InChI
InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h10-11H,3-9,12-15H2,1-2H3
InChIKey
IAGBQBDKOCVGCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.81
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
77.62
TPSA
26.3
LogP / Solubility
WLOGP
5.03
MLOGP
4.43
XLogP3
5.9
Consensus LogP
5.12
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.93
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.7
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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