CAS RN: 2142-03-2
2-P-TOLYL-ISOINDOLE-1,3-DIONE
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.20250608 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2142-03-2
- Purity/Analytical Methods: >99.0%
2142-03-2 / 2-(4-methylphenyl)isoindole-1,3-dione
Basic Information
CAS
2142-03-2
Multi CAS
No
Molecular Formula
C15H11NO2
Molecular Weight
237.250000
Exact Mass
237.078979
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H11NO2/c1-10-6-8-11(9-7-10)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
InChIKey
MXNBXEFODBPXBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
68.76
TPSA
37.38
LogP / Solubility
WLOGP
2.8
MLOGP
2.46
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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