CAS RN: 52078-48-5
9-TRICOSENE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260603 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS52078-48-5
- Purity/Analytical Methods: >99.0%
52078-48-5 / tricos-9-ene
Basic Information
CAS
52078-48-5
Multi CAS
Yes
Molecular Formula
C23H46
Molecular Weight
322.600000
Exact Mass
322.359951
InChI
InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17+
InChIKey
IGOWHGRNPLFNDJ-HTXNQAPBSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.91
Rotatable bonds
19
Molar refractivity
108.21
TPSA
0.0000
LogP / Solubility
WLOGP
8.99
MLOGP
7.93
XLogP3
11.7
Consensus LogP
9.54
Log S (ESOL)
-6.25
Class (ESOL)
Insoluble
Log S (Ali)
-8.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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