CAS RN: 122855-49-6
Panaxyne
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260416 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS122855-49-6
- Purity/Analytical Methods: >99.0%
122855-49-6 / tetradec-13-en-1,3-diyne-6,7-diol
Basic Information
CAS
122855-49-6
Multi CAS
No
Molecular Formula
C14H20O2
Molecular Weight
220.310000
Exact Mass
220.146330
SMILES
C=CCCCCCC(C(CC#CC#C)O)O
InChI
InChI=1S/C14H20O2/c1-3-5-7-8-10-12-14(16)13(15)11-9-6-4-2/h2-3,13-16H,1,5,7-8,10-12H2
InChIKey
WOVGAQBKTGZPTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.57
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.52
TPSA
40.46
LogP / Solubility
WLOGP
1.87
MLOGP
1.65
XLogP3
2.9
Consensus LogP
2.14
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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)
-2.74
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
2.5
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