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CAS 531-52-2 1,3,5-Triphenylformazan molecular structure lightbox
CAS RN: 531-52-2

1,3,5-Triphenylformazan

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250222 1g Out of stock Inquiry
Batchno.20250808 5g Out of stock Inquiry
  • Product code: ICTT0175
  • Purity/Analytical Methods: >92.0%(HPLC)
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531-52-2 / N'-anilino-N-phenyliminobenzenecarboximidamide

Standard CAS: 531-52-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
531-52-2
Multi CAS
Yes
Molecular Formula
C19H16N4
Molecular Weight
300.400000
Exact Mass
300.137497
InChI
InChI=1S/C19H16N4/c1-4-10-16(11-5-1)19(22-20-17-12-6-2-7-13-17)23-21-18-14-8-3-9-15-18/h1-15,20H
InChIKey
BEIHVSJTPTXQGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
94
TPSA
49.11

LogP / Solubility

WLOGP
5.24
MLOGP
4.63
XLogP3
5.7
Consensus LogP
5.19
Log S (ESOL)
-5.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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