CAS RN: 13228-39-2
1-Ethyl-2-phenylindole
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.20250605 | 25g / 100g / 500g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTE0331
- Purity/Analytical Methods: >98.0%(HPLC)
13228-39-2 / 1-ethyl-2-phenylindole
Basic Information
CAS
13228-39-2
Multi CAS
No
Molecular Formula
C16H15N
Molecular Weight
221.300000
Exact Mass
221.120449
SMILES
CCN1C2=CC=CC=C2C=C1C3=CC=CC=C3
InChI
InChI=1S/C16H15N/c1-2-17-15-11-7-6-10-14(15)12-16(17)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChIKey
RAKSXVONTIQCGY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
73.05
TPSA
4.93
LogP / Solubility
WLOGP
4.33
MLOGP
3.81
XLogP3
4
Consensus LogP
4.05
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
