CAS RN: 56219-06-8
Methyl myristoleate
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS56219-06-8
- Purity/Analytical Methods: >99.0%
56219-06-8 / methyl tetradec-9-enoate
Basic Information
CAS
56219-06-8
Multi CAS
Yes
Molecular Formula
C15H28O2
Molecular Weight
240.380000
Exact Mass
240.208930
InChI
InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h6-7H,3-5,8-14H2,1-2H3/b7-6-
InChIKey
RWIPSJUSVXDVPB-SREVYHEPSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
73
TPSA
26.3
LogP / Solubility
WLOGP
4.64
MLOGP
4.08
XLogP3
5.4
Consensus LogP
4.71
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.39
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)
-0.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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