CAS RN: 22698-95-9
n-(2-chlorophenyl)phthalimide
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.20250623 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22698-95-9
- Purity/Analytical Methods: >99.0%
22698-95-9 / 2-(2-chlorophenyl)isoindole-1,3-dione
Basic Information
CAS
22698-95-9
Multi CAS
No
Molecular Formula
C14H8ClNO2
Molecular Weight
257.670000
Exact Mass
257.024356
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C14H8ClNO2/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(16)18/h1-8H
InChIKey
HZJTXHXNUXBSFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
69.03
TPSA
37.38
LogP / Solubility
WLOGP
3.14
MLOGP
2.77
XLogP3
3
Consensus LogP
2.97
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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