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CAS 6183-35-3 1,2,4,5-BENZENETETRACARBOXAMIDE molecular structure lightbox
CAS RN: 6183-35-3

1,2,4,5-BENZENETETRACARBOXAMIDE

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  • Product code: starshine_CAS6183-35-3
  • Purity/Analytical Methods: >99.0%
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6183-35-3 / benzene-1,2,4,5-tetracarboxamide

Standard CAS: 6183-35-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6183-35-3
Multi CAS
Yes
Molecular Formula
C10H10N4O4
Molecular Weight
250.210000
Exact Mass
250.070205
InChI
InChI=1S/C10H10N4O4/c11-7(15)3-1-4(8(12)16)6(10(14)18)2-5(3)9(13)17/h1-2H,(H2,11,15)(H2,12,16)(H2,13,17)(H2,14,18)
InChIKey
FGLFAMLQSRIUFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
60.51
TPSA
172.36

LogP / Solubility

WLOGP
-1.92
MLOGP
-1.68
XLogP3
-2.6
Consensus LogP
-2.07
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.23
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.17
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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