CAS RN: 14835-59-7
N-(2-Biphenylyl)phthalic acid imide
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.20250709 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS14835-59-7
- Purity/Analytical Methods: >99.0%
14835-59-7 / 2-(2-phenylphenyl)isoindole-1,3-dione
Basic Information
CAS
14835-59-7
Multi CAS
No
Molecular Formula
C20H13NO2
Molecular Weight
299.300000
Exact Mass
299.094629
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H13NO2/c22-19-16-11-4-5-12-17(16)20(23)21(19)18-13-7-6-10-15(18)14-8-2-1-3-9-14/h1-13H
InChIKey
NGYOQODFXPCRIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
89.46
TPSA
37.38
LogP / Solubility
WLOGP
4.15
MLOGP
3.67
XLogP3
4
Consensus LogP
3.94
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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