CAS RN: 544-64-9
MYRISTOLEIC ACID
Product Availability
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8 package records8 with current stock2 grade groups
- Product code: starshine_CAS544-64-9
- Purity/Analytical Methods: >99.0%
544-64-9 / tetradec-9-enoic acid
Basic Information
CAS
544-64-9
Multi CAS
Yes
Molecular Formula
C14H26O2
Molecular Weight
226.350000
Exact Mass
226.193280
InChI
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)
InChIKey
YWWVWXASSLXJHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.79
Rotatable bonds
11
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.62
TPSA
37.3
LogP / Solubility
WLOGP
4.55
MLOGP
4.01
XLogP3
5.1
Consensus LogP
4.55
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
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)
-0.87
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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