CAS RN: 873108-81-7
4(Z),7(Z),10(Z),13(Z)-Hexadecatetraenoic Acid methyl ester
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250124 | 100μg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS873108-81-7
- Purity/Analytical Methods: >99.0%
873108-81-7 / methyl (4E,7E,10E,13E)-hexadeca-4,7,10,13-tetraenoate
Basic Information
CAS
873108-81-7
Multi CAS
Yes
Molecular Formula
C17H26O2
Molecular Weight
262.400000
Exact Mass
262.193280
InChI
InChI=1S/C17H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-16H2,1-2H3/b5-4-,8-7-,11-10-,14-13-
InChIKey
GRTBKGOZZPTTEE-GJDCDIHCSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.47
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
81.95
TPSA
26.3
LogP / Solubility
WLOGP
4.74
MLOGP
4.18
XLogP3
4.6
Consensus LogP
4.51
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.5
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)
-0.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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