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CAS 13118-04-2 N,N’-O-PHENYLENEDIMALEIMIDE molecular structure lightbox
CAS RN: 13118-04-2

N,N’-O-PHENYLENEDIMALEIMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250823 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS13118-04-2
  • Purity/Analytical Methods: >99.0%
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13118-04-2 / 1-[2-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione

Standard CAS: 13118-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13118-04-2
Multi CAS
No
Molecular Formula
C14H8N2O4
Molecular Weight
268.220000
Exact Mass
268.048407
SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O
InChI
InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10(9)16-13(19)7-8-14(16)20/h1-8H
InChIKey
UFFVWIGGYXLXPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
69.71
TPSA
74.76

LogP / Solubility

WLOGP
0.55
MLOGP
0.49
XLogP3
0.2
Consensus LogP
0.41
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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