CAS RN: 484-23-1

Ophthazin

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  • Product code: starshine_CAS484-23-1
  • Purity/Analytical Methods: >99.0%
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484-23-1 / (4-hydrazinylphthalazin-1-yl)hydrazine

Standard CAS: 484-23-1 Multi CAS: Yes

Basic Information

CAS
484-23-1
Multi CAS
Yes
Molecular Formula
C8H10N6
Molecular Weight
190.210000
Exact Mass
190.096694
InChI
InChI=1S/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14)
InChIKey
VQKLRVZQQYVIJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
55.16
TPSA
101.88

LogP / Solubility

WLOGP
0.2
MLOGP
0.18
XLogP3
0.2
Consensus LogP
0.19
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
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)
-3.74

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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