CAS RN: 51072-85-6
2-phenyl-1H-indole-3-carbonitrile
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.20260314 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS51072-85-6
- Purity/Analytical Methods: >99.0%
51072-85-6 / 2-phenyl-1H-indole-3-carbonitrile
Basic Information
CAS
51072-85-6
Multi CAS
No
Molecular Formula
C15H10N2
Molecular Weight
218.250000
Exact Mass
218.084398
InChI
InChI=1S/C15H10N2/c16-10-13-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,17H
InChIKey
UKTCNGNAHOKIGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.45
TPSA
39.58
LogP / Solubility
WLOGP
3.71
MLOGP
3.26
XLogP3
3.4
Consensus LogP
3.46
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
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)
-1.42
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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