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CAS 1622-12-4 1,5-Diphenyl-3-(p-tolyl)formazan molecular structure lightbox
CAS RN: 1622-12-4

1,5-Diphenyl-3-(p-tolyl)formazan

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260207 10mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: ICTB0338
  • Purity/Analytical Methods: >95.0%(HPLC)
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1622-12-4 / N'-anilino-4-methyl-N-phenyliminobenzenecarboximidamide

Standard CAS: 1622-12-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1622-12-4
Multi CAS
No
Molecular Formula
C20H18N4
Molecular Weight
314.400000
Exact Mass
314.153147
SMILES
CC1=CC=C(C=C1)C(=NNC2=CC=CC=C2)N=NC3=CC=CC=C3
InChI
InChI=1S/C20H18N4/c1-16-12-14-17(15-13-16)20(23-21-18-8-4-2-5-9-18)24-22-19-10-6-3-7-11-19/h2-15,21H,1H3
InChIKey
FEYZMOAOMKSFOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
98.74
TPSA
49.11

LogP / Solubility

WLOGP
5.55
MLOGP
4.9
XLogP3
6.1
Consensus LogP
5.52
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
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)
-0.7

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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