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CAS 6051-62-3 1,4-DIAMIDOXIMOBENZENE molecular structure lightbox
CAS RN: 6051-62-3

1,4-DIAMIDOXIMOBENZENE

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6 package records5 with current stock2 grade groups
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  • Product code: starshine_CAS6051-62-3
  • Purity/Analytical Methods: >99.0%
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6051-62-3 / 1-N',4-N'-dihydroxybenzene-1,4-dicarboximidamide

Standard CAS: 6051-62-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6051-62-3
Multi CAS
Yes
Molecular Formula
C8H10N4O2
Molecular Weight
194.190000
Exact Mass
194.080376
InChI
InChI=1S/C8H10N4O2/c9-7(11-13)5-1-2-6(4-3-5)8(10)12-14/h1-4,13-14H,(H2,9,11)(H2,10,12)
InChIKey
GRWNTBQZUUOOLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
51.46
TPSA
117.22

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.11
XLogP3
0.2
Consensus LogP
-0.01
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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