CAS RN: 2415951-75-4
9H-Carbazole, 1,3,6,8-tetraethynyl-
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.20260524 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2415951-75-4
- Purity/Analytical Methods: >99.0%
2415951-75-4 / 1,3,6,8-tetraethynyl-9H-carbazole
Basic Information
CAS
2415951-75-4
Multi CAS
No
Molecular Formula
C20H9N
Molecular Weight
263.300000
Exact Mass
263.073499
SMILES
C#CC1=CC(=C2C(=C1)C3=CC(=CC(=C3N2)C#C)C#C)C#C
InChI
InChI=1S/C20H9N/c1-5-13-9-15(7-3)19-17(11-13)18-12-14(6-2)10-16(8-4)20(18)21-19/h1-4,9-12,21H
InChIKey
KLNHWHRQKIRLMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
13
Rotatable bonds
4
H-bond donors
1
Molar refractivity
87.54
TPSA
15.79
LogP / Solubility
WLOGP
3.25
MLOGP
2.86
XLogP3
4.4
Consensus LogP
3.5
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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