CAS RN: 5337-01-9
3-(9H-carbazol-9-yl)propanenitrile
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.20260105 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5337-01-9
- Purity/Analytical Methods: >99.0%
5337-01-9 / 3-carbazol-9-ylpropanenitrile
Basic Information
CAS
5337-01-9
Multi CAS
Yes
Molecular Formula
C15H12N2
Molecular Weight
220.270000
Exact Mass
220.100048
InChI
InChI=1S/C15H12N2/c16-10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,11H2
InChIKey
YAGSRHMFASEGPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
69.67
TPSA
28.72
LogP / Solubility
WLOGP
3.71
MLOGP
3.27
XLogP3
3
Consensus LogP
3.33
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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