CAS RN: 344940-63-2

diphenylterazine

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  • Product code: starshine_CAS344940-63-2
  • Purity/Analytical Methods: >99.0%
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344940-63-2 / 2-benzyl-6,8-diphenylimidazo[1,2-a]pyrazin-3-ol

Standard CAS: 344940-63-2 Multi CAS: Yes

Basic Information

CAS
344940-63-2
Multi CAS
Yes
Molecular Formula
C25H19N3O
Molecular Weight
377.400000
Exact Mass
377.152812
InChI
InChI=1S/C25H19N3O/c29-25-21(16-18-10-4-1-5-11-18)27-24-23(20-14-8-3-9-15-20)26-22(17-28(24)25)19-12-6-2-7-13-19/h1-15,17,29H,16H2
InChIKey
ZMJMWAVOTYOMRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
27
Fraction Csp3
0.04
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
114.77
TPSA
50.42

LogP / Solubility

WLOGP
5.36
MLOGP
4.74
XLogP3
6
Consensus LogP
5.37
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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