![CAS 235-93-8 2H-Dibenz[e,g]isoindole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/235-93-8.gif)
CAS RN: 235-93-8
2H-Dibenz[e,g]isoindole
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.20260205 | 25mg / 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS235-93-8
- Purity/Analytical Methods: >99.0%
235-93-8 / 2H-phenanthro[9,10-c]pyrrole
Basic Information
CAS
235-93-8
Multi CAS
No
Molecular Formula
C16H11N
Molecular Weight
217.260000
Exact Mass
217.089149
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=CNC=C24
InChI
InChI=1S/C16H11N/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-10-17-9-15(13)16/h1-10,17H
InChIKey
SHNNRQRIBNWMNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
17
H-bond donors
1
Molar refractivity
73.31
TPSA
15.79
LogP / Solubility
WLOGP
4.47
MLOGP
3.94
XLogP3
3.7
Consensus LogP
4.04
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-0.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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