CAS RN: 147009-33-4
rac-6-Cyano-3-N-methylamino-1,2,3,4-tetrahydrocarbazole
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.20250826 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS147009-33-4
- Purity/Analytical Methods: >99.0%
147009-33-4 / 6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile
Basic Information
CAS
147009-33-4
Multi CAS
No
Molecular Formula
C14H15N3
Molecular Weight
225.290000
Exact Mass
225.126597
SMILES
CNC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C#N
InChI
InChI=1S/C14H15N3/c1-16-10-3-5-14-12(7-10)11-6-9(8-15)2-4-13(11)17-14/h2,4,6,10,16-17H,3,5,7H2,1H3
InChIKey
WPDCBQPOJXEMKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.89
TPSA
51.61
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
2.1
Consensus LogP
2.03
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly 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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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