CAS RN: 211238-60-7
9,17-Octadecadiene-12,14-diyne-1,11,16-triol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251001 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS211238-60-7
- Purity/Analytical Methods: >99.0%
211238-60-7 / octadeca-9,17-dien-12,14-diyne-1,11,16-triol
Basic Information
CAS
211238-60-7
Multi CAS
No
Molecular Formula
C18H26O3
Molecular Weight
290.400000
Exact Mass
290.188195
SMILES
C=CC(C#CC#CC(C=CCCCCCCCCO)O)O
InChI
InChI=1S/C18H26O3/c1-2-17(20)13-10-11-15-18(21)14-9-7-5-3-4-6-8-12-16-19/h2,9,14,17-21H,1,3-8,12,16H2
InChIKey
MLGPZCOVWKAPPH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.56
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
3
Molar refractivity
86.31
TPSA
60.69
LogP / Solubility
WLOGP
2.18
MLOGP
1.93
XLogP3
3.3
Consensus LogP
2.47
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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